[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octadecanoate
Basic information
- CAS
5432-63-3- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C- InChIKey
DDFCVGDXLBXEIQ-CGIWSNMHSA-N- Molecular formula
- C39H62O6
- Average molar mass
- 626.9 g/mol
- Monoisotopic mass
- 626.45463969
Names & identifiers
- Preferred name
- [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octadecanoate
- IUPAC
- [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octadecanoate
Names & synonyms
NSC81235432-63-3NSC-8123
Database identifiers
- CAS
5432-63-3- PubChem CID
- 222295
Properties
Computed structural properties
- XLogP
- 10.5
- Topological polar surface area
- 97.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 20
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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