Basic information
- CAS
3818-24-4- Standard SMILES
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCCC12- InChIKey
FFZVTLPCFSOGJI-UHFFFAOYSA-N- Molecular formula
- C20H30O2
- Average molar mass
- 302.5 g/mol
- Monoisotopic mass
- 302.2245802
Names & identifiers
- Preferred name
- Agn-PC-00iocf
- IUPAC
- 7-hydroxy-4a,6a-dimethyl-4,4b,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-3H-chrysen-2-one
Names & synonyms
AGN-PC-00IOCFDTXSID90328841RefChem:317563DTXCID10279947NCIOpen2_007853NSC588507-Hydroxy-4a,6a-dimethyl-4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12-tetradecahydrochrysen-2(3H)-one
Database identifiers
- CAS
3818-24-4- PubChem CID
- 414432
- DTXSID
DTXSID90328841
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 522
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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