(17-acetyl-2-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
Basic information
- CAS
28404-72-0- Standard SMILES
CC(=O)OC1CC2CCC3C4CC=C(C(C)=O)C4(C)CCC3C2(C)CC1OC(C)=O- InChIKey
BHNNWIQUSMSMMR-UHFFFAOYSA-N- Molecular formula
- C25H36O5
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.25627424
Names & identifiers
- Preferred name
- (17-acetyl-2-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
- IUPAC
- (17-acetyl-2-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
Names & synonyms
28404-72-0NSC192733(17-acetyl-2-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetateDTXSID80307564NSC-19273320-Oxopregn-16-ene-2,3-diyl diacetate
Database identifiers
- CAS
28404-72-0- PubChem CID
- 303606
- DTXSID
DTXSID80307564
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 784
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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