(3-azido-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate
Basic information
- CAS
5830-99-9- Standard SMILES
CC(=O)OC1CCC2C3CCC4CC(N=[N+]=[N-])CCC4(C)C3CCC12C- InChIKey
RXBSECHHUQHQSJ-UHFFFAOYSA-N- Molecular formula
- C21H33N3O2
- Average molar mass
- 359.5 g/mol
- Monoisotopic mass
- 359.2572773
Names & identifiers
- Preferred name
- (3-azido-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate
- IUPAC
- (3-azido-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate
Names & synonyms
5830-99-9(3-azido-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate3-Azidoandrostan-17-yl acetateDTXSID10398142NSC100063NSC-100063
Database identifiers
- CAS
5830-99-9- PubChem CID
- 3944730
- DTXSID
DTXSID10398142
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 40.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 631
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Related reactions
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Compound notes
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