Crotaline - ≥95% , CAS No.315-22-0

CAS: 315-22-0 Cat. No.: C101556 Peso molecular: 325.36 Beilstein Registry Number: 48732 Número EC: 628-506-2
Disponible para pedir
GRADE & PURITY ≥95%
Synonyms
(3R,4R,5R,8a1R,13aR)-4,5-Dihydroxy-3,4,5-trimethyl-4,5,8,8a1,10,12,13,13a-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione | KBio2_004272 | rel-(3R,4R,5R,8a1R,13aR)-4,5-Dihydroxy-3,4,5-trimethyl-4,5,8,8a1,10,12,13,13a-octahydro-2H-[
Storage
Conservar a 2-8°C
Shipped In
Hielo húmedo
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
50mg
C101556-50mg
10
49,90US$
250mg
C101556-250mg
4
129,90US$
1g
C101556-1g
3
309,90US$
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Conservar a 2-8°C Ships Hielo húmedo Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

La monocrotalina es un alcaloide tóxico de pirrolizidina. Se utiliza para inducir enfermedades pulmonares en ratas. El alcaloide provoca hipertensión arterial pulmonar, hipertrofia ventricular derecha y cambios patológicos en la vasculatura pulmonar.
Alcaloide pirrolizidínico tóxico

Specifications

Sinónimos
(3R, 4R, 5R, 8a1R, 13aR)-4, 5-Dihydroxy-3, 4, 5-trimethyl-4, 5, 8, 8a1, 10, 12, 13, 13a-octahydro-2H-[1, 6]dioxacycloundecino[2, 3, 4-gh]pyrrolizine-2, 6(3H)-dione | KBio2_004272 | rel-(3R, 4R, 5R, 8a1R, 13aR)-4, 5-Dihydroxy-3, 4, 5-trimethyl-4, 5, 8, 8a1, 10, 12, 13, 13a-octahydro-2H-[
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Conservar a 2-8°C
Enviado en
Hielo húmedo
Pureza
≥95%
Nombres e identificadores
Pubchem Sid488180976
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488180976
Sonrisas canónicasCC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)O)(C)O
IUPAC Name(1R,4R,5R,6R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
InChIKeyQVCMHGGNRFRMAD-XFGHUUIASA-N
INCHI1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1
Isómeros SMILES C[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O
WGK Alemania 3
RTECS QB3140000
Número ONU 1544
Peso molecular 325.36
Beilstein 48732
Reaxy-Rn 628332
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=628332&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasePyrrolizines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPyrrolizines
Alternative Parents N-alkylpyrrolidines  Dicarboxylic acids and derivatives  Tertiary alcohols  Pyrrolines  Trialkylamines  Lactones  Carboxylic acid esters  Amino acids and derivatives  1,2-diols  Oxacyclic compounds  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic heteropolycyclic compounds
Substituents Pyrrolizine - Dicarboxylic acid or derivatives - N-alkylpyrrolidine - Pyrrolidine - Pyrroline - Tertiary alcohol - 1,2-diol - Amino acid or derivatives - Carboxylic acid ester - Lactone - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Oxacycle - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as pyrrolizines. These are compounds containing a pyrrolizine moiety, which consists of a pyrrole ring fused to a pyrrolidine ring.
External Descriptors Pyrrolizidine alkaloids
Estructura 3D
Modelo de Estructura Química Interactiva





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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
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pol Human immunodeficiency virus type 1 reverse transcriptase (18245 Activities)
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Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

22 results found

Lot NumberCertificate TypeFechaArticulo
F2625258Certificate of AnalysisJun 29, 2026 C101556
F2625257Certificate of AnalysisJun 29, 2026 C101556
I2519247Certificate of AnalysisSep 28, 2025 C101556
I2519246Certificate of AnalysisSep 28, 2025 C101556
D2503473Certificate of AnalysisApr 10, 2025 C101556
D2503474Certificate of AnalysisApr 10, 2025 C101556
K2208275Certificate of AnalysisSep 03, 2024 C101556
K2208274Certificate of AnalysisSep 03, 2024 C101556
F2414388Certificate of AnalysisJun 22, 2024 C101556
F2414389Certificate of AnalysisJun 22, 2024 C101556
L2325150Certificate of AnalysisJan 03, 2024 C101556
L2325149Certificate of AnalysisJan 03, 2024 C101556
E2406069Certificate of AnalysisJan 03, 2024 C101556
I2307209Certificate of AnalysisSep 18, 2023 C101556
I2307238Certificate of AnalysisSep 18, 2023 C101556
C2318988Certificate of AnalysisApr 10, 2023 C101556
C2318986Certificate of AnalysisApr 10, 2023 C101556
C2318982Certificate of AnalysisApr 10, 2023 C101556
C2318998Certificate of AnalysisApr 09, 2023 C101556
C2318996Certificate of AnalysisApr 09, 2023 C101556
C2318995Certificate of AnalysisApr 09, 2023 C101556
G1813016Certificate of AnalysisMay 09, 2022 C101556

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Propiedades químicas y físicas
Punto de fusión (°C)204°C
Peso molecular325.360 g/mol
XLogP3-0.700
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Exact Mass325.153 Da
Monoisotopic Mass325.153 Da
Topological Polar Surface Area96.300 Ų
Heavy Atom Count23
Formal Charge0
Complexity575.000
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Referencias
1. Haixia Che, Jie Yi, Xiaoting Zhao, Hong Yu, Xianyao Wang, Rui Zhang, Xin Li, Jia Fu, Qian Li.  (2023)  Characterization of PKCα-rutin interactions and its application as a treatment strategy for PAH by inhibiting ferroptosis.  Food & Function,      [PMID:38126185] [10.1039/D3FO01306E]
2. Yanhui Ge, Shuchang Zhao, Boyi Yuan, Yuan Gao, Ruilin Liu.  (2023)  In-situ growth of metal coordination-synergistic imprinted polymer onto shrimp shell-derived magnetic FeNi biochar for specific recognition of monocrotaline in herbal medicine.  Materials Today Sustainability,      [PMID:] [10.1016/j.mtsust.2023.100599]
3. Yang Zhong, Jiayu Gu, Yaoquan Su, Lingzhi Zhao, Yunyun Zhou, Juanjuan Peng.  (2021)  Real-time screening of hepatotoxins in natural medicine by peroxynitrite responsive lanthanide-based NIR-II luminescent probes.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2021.133263]
4. Mingyan Ji, Yun Chen, Yifan Ma, Dongping Li, Jin Ren, Hongyue Jiang, Sinuo Chen, Xiaoqing Zeng, Hong Gao.  (2024)  ADAMTS13 Improves Hepatic Platelet Accumulation in Pyrrolizidine Alkaloids-induced Liver Injury.  Journal of Clinical and Translational Hepatology,  13  (1): (25).  [PMID:39801786] [10.14218/JCTH.2024.00233]
5. Min Fu, Yuan Li, Jingjing Liu, Junjie Liu, Jiaoxia Wei, Yuxin Qiao, Hanxin Zhong, Dongyang Han, Haitao Lu, Li Yao.  (2024)  Zhishi Xiebai Guizhi Decoction modulates hypoxia and lipid toxicity to alleviate pulmonary vascular remodeling of pulmonary hypertension in rats.  Chinese Medicine,      [PMID:39696593] [10.1186/s13020-024-01039-0]
6. Wencheng Liu, Yanbin Cheng, Xue Han, Junlin Xia, Qingyu Wei, Bing Chang, Quansheng Li.  (2025)  Rivaroxaban alleviates hepatic sinusoidal obstruction syndrome in mice by modulating the gut microbiota and inhibiting the PI3K/Akt signaling pathway.  Frontiers in Microbiology,      [PMID:40919202] [10.3389/fmicb.2025.1607131]
7. Sinuo Chen, Yifan Ma, Mingyan Ji, Heming Wang, Yun Chen, Dongping Li, Hongyue Jiang, Guangqi Song, Jinglin Xia, Hong Gao.  (2025)  Phosphocreatine alleviates monocrotaline-induced liver injury dependent on PSRC1-regulated endoplasmic reticulum stress.  BIOCHEMICAL PHARMACOLOGY,      [PMID:40194605] [10.1016/j.bcp.2025.116915]
8. Yanhui Ge, Xinya Xu, Yubo Liu, Chengyu Huang, Jiajun Zhu.  (2025)  Development of a novel in-vivo analysis for monocrotaline based on adenine-coated hollow eggshell-like mesoporous carbon@silica nanoparticles.  Results in Chemistry,      [PMID:] [10.1016/j.rechem.2025.102813]
9. Haixia Che, Jie Yi, Jiawen Li, Yue Hu, Di Gao, Huiru Fu, Qiao Li, Zejun Li, Yu Xiao, Qing Li, Qian Li.  (2026)  Unveiling the protective mechanisms of Pipa Qingfei Decoction in pulmonary arterial hypertension: Insights from network pharmacology, metabolomics and Mendelian randomization.  JOURNAL OF ETHNOPHARMACOLOGY,      [PMID:41619862] [10.1016/j.jep.2026.121287]
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