β-Elemene - 10mM in DMSO , CAS No.515-13-9

CAS: 515-13-9 Cat. No.: E424425 Molecular Weight: 204.35
AVAILABLE TO ORDER
GRADE & PURITY 10mM in DMSO
Synonyms
beta-Elemen | BETA-ELEMENE | SCHEMBL236095 | E- .beta.-Elemene | (-)-.beta.-Elemene | (1S,2S,4R)-beta-elemene | EINECS 251-713-0 | (-)-b-Elemene | 3-(2-chloroethyl)-2-oxazolidone | ELEMENE, (-)-.BETA.- | (1S,2S,4R)-1-methyl-2,4-di(prop-1-en-2-yl)-1-vinylc
Storage
Protected from light,Store at -80°C
Shipped In
Dry ice packs + Cold packs
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1ml
E424425-1ml
2

$110.90

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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Protected from light,Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
beta-Elemen | BETA-ELEMENE | SCHEMBL236095 | E- .beta.-Elemene | (-)-.beta.-Elemene | (1S, 2S, 4R)-beta-elemene | EINECS 251-713-0 | (-)-b-Elemene | 3-(2-chloroethyl)-2-oxazolidone | ELEMENE, (-)-.BETA.- | (1S, 2S, 4R)-1-methyl-2, 4-di(prop-1-en-2-yl)-1-vinylc
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Anticancer agent. Induces G 2 M cell cycle arrest and apoptosis. Induces caspase-3, -7 and -9 activities. Decreases Bcl-2 expression. Induces mitochondrial release of cytochrome c. Inhibits microtubule polymerization.
Storage
Protected from light, Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
Canonical SmilesCC(=C)C1CCC(C(C1)C(=C)C)(C)C=C
IUPAC Name(1S,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
InChIKeyOPFTUNCRGUEPRZ-QLFBSQMISA-N
INCHI1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1
Isomeric SMILES CC(=C)[C@@H]1CC[C@@]([C@@H](C1)C(=C)C)(C)C=C
Molecular Weight 204.35
Reaxy-Rn 1864409
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1864409&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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClassPrenol lipids
SubclassSesquiterpenoids
Intermediate Tree Nodes Not available
Direct ParentElemane sesquiterpenoids
Alternative Parents Branched unsaturated hydrocarbons  Cyclic olefins  Unsaturated aliphatic hydrocarbons  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Elemane sesquiterpenoid - Branched unsaturated hydrocarbon - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aliphatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as elemane sesquiterpenoids. These are sesquiterpenoids with a structure based on the elemane skeleton. Elemane is a monocyclic compound consisting of a cyclohexane ring substituted with a methyl group, an ethyl group, and two 1-methylethyl groups at the 1-, 1-, 2-, and 4-position, respectively.
External Descriptors beta-elemene
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
PC-3 (62116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SGC-7901 (2773 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U-251 (51189 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HUVEC (11049 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 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
Pkm Pyruvate kinase isozymes M1/M2 (66 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
H22 (575 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 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:
Chemical and Physical Properties
SensitivityLight sensitive
Flash Point(°C)98 °C
Molecular Weight204.350 g/mol
XLogP36.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Exact Mass204.188 Da
Monoisotopic Mass204.188 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count15
Formal Charge0
Complexity284.000
Isotope Atom Count0
Defined Atom Stereocenter Count3
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
References
1. Bi Wang, Pirui Li, Jingjing Yang, Xuhong Yong, Min Yin, Yu Chen, Xu Feng, Qizhi Wang.  (2021)  Inhibition efficacy of Tetradium glabrifolium fruit essential oil against Phytophthora capsici and potential mechanism.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2021.114310]
2. Qian Feng, Cai-Zhi Li, Yi-Hua Zou, Xue-Yu Wang, Xia Yang, Rong Zhang*, Zhong-Qiu Liu*, Rong-Rong Zhang.  (2025)  IL6/CCL2 from M2-polarized microglia promotes breast cancer brain metastasis and the reversal effect of β-elemene.  Frontiers in Pharmacology,      [PMID:40444044] [10.3389/fphar.2025.1547333]
3. Haichun Zeng, Beilin Meng, Jiatong Zeng, Li Rao.  (2025)  Identification and Characterization of a Novel Multifunctional Terpene Synthase from the Pathogenic Fungus Cochliobolus heterostrophus.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:40401765] [10.1021/acs.jafc.5c01176]
Solution Calculators
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