Basic information
- CAS
57605-81-9- Standard SMILES
CC1=CC(O)CC(C)(O)C=CC(C(C)C)CCC(C)=CCC1- InChIKey
RIVKDDXPCFBMOV-UHFFFAOYSA-N- Molecular formula
- C20H34O2
- Average molar mass
- 306.5 g/mol
- Monoisotopic mass
- 306.25588032
Names & identifiers
- Preferred name
- | inverted exclamation marke-Cembrenediol
- IUPAC
- 1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
- English name
- β-Cembrenediol
- Molecular formula
- C20H34O2
- Molecular weight
- 306.48
Names & synonyms
57605-81-9orb321482SCHEMBL27914643| inverted exclamation marke-CembrenediolNS00113792b-Cembrenediolβ-Cembrenediolbeta-CeMbrenediolCembratriene-4,6-diol(+)-β-Cembratrienediolβ-4,8,13-Duvatriene-1,3-diol(1S,2E,4R,6R,7E,11E)-2,7,11-Cembratriene-4,6-diol
Show more names
(1E,3R,5R,6E,10E,14S)-14-Isopropyl-3,7,11-trimethylcyclotetradeca-1,6,10-triene-3,5-diol(1R,3R,4E,8E,12S,13E)-1,5,9-Trimethyl-12-(1-methylethyl)-4,8,13-cyclotetradecatriene-1,3-diol4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl)-, (1R,3R,4E,8E,12S,13E)-
Database identifiers
- CAS
57605-81-9- PubChem CID
- 93048
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Melting point
- 106 · 106-112°C
- Boiling point
- 431.8 · 431.8±45.0 °C(Predicted)
- Density
- 0.932 · 0.932±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 14.13 · 14.13±0.70(Predicted)
- color
- White to Off-White
- Stability
- Light Sensitive
Chemistry & industry
Applications
Usesβ-Cembrenediol is an inhibitor of tumor promotion. Novel c-Met inhibitors which are used in anticancer treatments.
Suppliers16 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
Aladdin Scientific[email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
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No reaction records under the current filter.
Compound notes
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