ent-16beta-Methoxy-19-kauranoic acid
Basic information
- CAS
38308-35-9- Standard SMILES
COC1(C)CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1C3- InChIKey
VYVVNCBNYVCVGC-UHFFFAOYSA-N- Molecular formula
- C21H34O3
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.25079494
Names & identifiers
- Preferred name
- ent-16beta-Methoxy-19-kauranoic acid
- IUPAC
- 14-methoxy-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Names & synonyms
ent-16beta-Methoxy-19-kauranoic acidNSC65949916-Methoxykauran-18-oic acidEnt-16b-Methoxy-19-kauranoic acidmethoxy(trimethyl)[?]carboxylic acid14-methoxy-5,9,14-trimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylic acid
Database identifiers
- CAS
38308-35-9- PubChem CID
- 495571
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 559
Experimental & physicochemical properties
Melting Point216 - 219 °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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