Basic information
- CAS
77658-38-9- Standard SMILES
C=C1C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@]2(O)CC[C@@H]1C3- InChIKey
GQFVICMVZLJUEP-ABWGISGVSA-N- Molecular formula
- C20H30O3
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.21949481
Overview
(1S,4S,5R,9R,10S,13R)-10-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid has been reported in Oyedaea verbesinoides with data available.
Names & identifiers
- Preferred name
- Pterokaurene L3
- IUPAC
- (1S,4S,5R,9R,10S,13R)-10-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
- English name
- Pterokaurene L3
- Molecular formula
- C20H30O3
- Molecular weight
- 318.45
Names & synonyms
Pterokaurene L377658-38-9(1S,4S,5R,9R,10S,13R)-10-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acidorb1681830TN4854AKOS040762241(4alpha)-9-Hydroxykaur-16-en-18-oic acid9beta-Hydroxy-ent-kaur-16-en-oic acidKaur-16-en-18-oic acid, 9-hydroxy-, (4α)-
Database identifiers
- CAS
77658-38-9- PubChem CID
- 26112861
- Nikkaji
- J1.917.632K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 583
Physicochemical properties
- Boiling point
- 461.1 · 461.1±45.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 4.59 · 4.59±0.60(Predicted)
Chemistry & industry
Applications
UsesPterokaurene L3 is a Diterpenoids product that can be isolated from the herbs of Wedelia trilobata[1].
Suppliers23 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
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佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
ALB Technology Limited702-983-3769 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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