Basic information
- CAS
70324-42-4- Standard SMILES
C=C1C(=O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2[C@@H](O)C[C@@H]1C3- InChIKey
FUHHXQHMWOVSNL-IENALNPRSA-N- Molecular formula
- C21H30O4
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.21440943
Names & identifiers
- Preferred name
- ent-11S-hydroxy-15-oxokaur-16-en-19-oic acid methyl ester
- IUPAC
- methyl (1R,4S,5R,9R,10S,11S,13S)-11-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
Names & synonyms
ent-11S-hydroxy-15-oxokaur-16-en-19-oic acid methyl ester70324-42-4Kaur-16-en-18-oic acid, 11-hydroxy-15-oxo-, methyl ester, (4a,11b)-NSC692947DTXSID00990533NSC-692947Methyl 11-hydroxy-15-oxokaur-16-en-18-oateMethyl 11beta-hydroxy-15-oxo-5beta,8alpha,9beta,10alpha,13alpha-kaur-16-en-18-oate
Database identifiers
- CAS
70324-42-4- PubChem CID
- 392453
- DTXSID
DTXSID00990533
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 654
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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