2-(3,16-Dihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-3-one
Basic information
- CAS
82145-62-8- Standard SMILES
CC(C)(O)C1CC(=O)C(C)(C2C(O)CC3(C)C4CC=C5C(CCC(O)C5(C)C)C4(C)C(=O)CC23C)O1- InChIKey
YCNIKEBNKOIJKD-UHFFFAOYSA-N- Molecular formula
- C30H46O6
- Average molar mass
- 502.7 g/mol
- Monoisotopic mass
- 502.32943918
Names & identifiers
- Preferred name
- 2-(3,16-Dihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-3-one
- IUPAC
- 2-(3,16-dihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-3-one
Names & synonyms
82145-62-8NCI60_0036592-(3,16-dihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-3-oneCHEMBL1985418DTXSID50321873NSC-3826101,16,25-Trihydroxy-9,10,14-trimethyl-20,24-epoxy-4,9-cyclo-9,10-secocholest-5-ene-11,22-dione
Database identifiers
- CAS
82145-62-8- PubChem CID
- 343255
- DTXSID
DTXSID50321873- ChEMBL
CHEMBL1985418
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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