Basic information
- CAS
6620-00-4- Standard SMILES
C=C1C(=O)C23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1C3- InChIKey
WQBNGXOJBVBQKP-UHFFFAOYSA-N- Molecular formula
- C20H28O3
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.20384475
Overview
ent-15-Oxo-16-kauren-19-oic acid has been reported in Pteris longipes, Pteris wallichiana, and Croton kongensis with data available.
Names & identifiers
- Preferred name
- ent-15-Oxo-16-kauren-19-oic acid
- IUPAC
- 5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Names & synonyms
ent-15-Oxo-16-kauren-19-oic acid5,9-dimethyl-14-methylidene-15-oxotetracyclo(11.2.1.0^(1,10).0^(4,9))hexadecane-5-carboxylic acid5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylic acidRefChem:10841065,9-dimethyl-14-methylidene-15-oxotetracyclo(11.2.1.01,10.04,9)hexadecane-5-carboxylic acidDiterpene deriv.ent-15-oxokaur-16-en-19-oic acid6620-00-415-Oxo-(4a)-Kaur-16-en-18-oic acid15-Oxo-(4alpha)-Kaur-16-en-18-oic acid
Database identifiers
- CAS
6620-00-4- PubChem CID
- 3232
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 608
Experimental & physicochemical properties
Melting Point211 - 213 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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