Arglabin - ≥98% , CAS No.84692-91-1

CAS: 84692-91-1 Cat. No.: A352731 Molecular Weight: 246.31 EC Number: 851-932-7
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
(1R,3S,6S,10S,11R)-3,12-dimethyl-7-methylidene-2,9-dioxatetracyclo[9.3.0.0?,?.0?,??]tetradec-12-en-8-one | BDBM50433455 | YS8UOP7QZ1 | SCHEMBL60010 | 1beta,10beta-epoxyguaia-3,11(13)-dien-12,6alpha-olide | 3H-OXIRENO(8,8A)AZULENO(4,5-B)FURAN-8(4AH)-ONE, 5
Storage
Protected from light,Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
A352731-1mg
1
$48.90
5mg
A352731-5mg
1
$134.90
10mg
A352731-10mg
1
$214.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Store at -20°C Ships Ice chest + Ice pads 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
(1R, 3S, 6S, 10S, 11R)-3, 12-dimethyl-7-methylidene-2, 9-dioxatetracyclo[9.3.0.0?, ?.0?, ??]tetradec-12-en-8-one | BDBM50433455 | YS8UOP7QZ1 | SCHEMBL60010 | 1beta, 10beta-epoxyguaia-3, 11(13)-dien-12, 6alpha-olide | 3H-OXIRENO(8, 8A)AZULENO(4, 5-B)FURAN-8(4AH)-ONE, 5
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Arglabin is a natural product with antitumor and anti-inflammatory activity. Arglabin competitively inhibits the binding of farnesyl diphosphate to farnesyl transferase (FTase), preventing the activation of RAS proto-oncogene by preventing the incorporati
Storage
Protected from light, Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Names and Identifiers
Canonical SmilesCC1=CCC23C1C4C(CCC2(O3)C)C(=C)C(=O)O4
IUPAC Name(1R,3S,6S,10S,11R)-3,12-dimethyl-7-methylidene-2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-en-8-one
InChIKeyUVJYAKBJSGRTHA-CUZKYEQNSA-N
INCHI1S/C15H18O3/c1-8-4-7-15-11(8)12-10(9(2)13(16)17-12)5-6-14(15,3)18-15/h4,10-12H,2,5-7H2,1,3H3/t10-,11+,12-,14-,15+/m0/s1
Isomeric SMILES CC1=CC[C@@]23[C@H]1[C@@H]4[C@@H](CC[C@@]2(O3)C)C(=C)C(=O)O4
Molecular Weight 246.31
Reaxy-Rn 5542020
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5542020&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
SuperclassLipids and lipid-like molecules
ClassPrenol lipids
SubclassTerpene lactones
Intermediate Tree Nodes Sesquiterpene lactones
Direct ParentGuaianolides and derivatives
Alternative Parents Sesquiterpenoids  Gamma butyrolactones  Tetrahydrofurans  Enoate esters  Oxacyclic compounds  Monocarboxylic acids and derivatives  Epoxides  Dialkyl ethers  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic heteropolycyclic compounds
Substituents Guaianolide-skeleton - Sesquiterpenoid - Gamma butyrolactone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aliphatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as guaianolides and derivatives. These are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative.
External Descriptors organic heterotetracyclic compound - epoxide - gamma-lactone - sesquiterpene lactone
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A-431 (6446 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A2780 (11979 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MYB Transcriptional activator Myb (118 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
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.

6 results found

Lot NumberCertificate TypeDateItem
C2425134Certificate of AnalysisMar 05, 2024 A352731
C2425135Certificate of AnalysisMar 05, 2024 A352731
C2425136Certificate of AnalysisMar 05, 2024 A352731
C2425137Certificate of AnalysisMar 05, 2024 A352731
C2425138Certificate of AnalysisMar 05, 2024 A352731
C2425139Certificate of AnalysisMar 05, 2024 A352731
Chemical and Physical Properties
SensitivityLight sensitive; Heat sensitive
Melt Point(°C)102 °C
Molecular Weight246.300 g/mol
XLogP31.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass246.126 Da
Monoisotopic Mass246.126 Da
Topological Polar Surface Area38.800 Ų
Heavy Atom Count18
Formal Charge0
Complexity506.000
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
Solution Calculators
Reviews

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