17-(2-azidoethyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Basic information
- CAS
59324-35-5- Standard SMILES
COc1ccc2c(c1)CCC1C2CCC2(C)C1CCC2(O)CCN=[N+]=[N-]- InChIKey
SRRRUVUOUVYNNH-UHFFFAOYSA-N- Molecular formula
- C21H29N3O2
- Average molar mass
- 355.5 g/mol
- Monoisotopic mass
- 355.22597718
Names & identifiers
- Preferred name
- 17-(2-azidoethyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
- IUPAC
- 17-(2-azidoethyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Names & synonyms
59324-35-517-(2-azidoethyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-olDTXSID90402953NSC250655NSC-25065521-Azido-3-methoxy-19-norpregna-1,3,5(10)-trien-17-ol(17.ALPHA.)-21-AZIDO-3-METHOXY-19-NORPREGNA-1,5(10)-TRIEN-17-OL
Database identifiers
- CAS
59324-35-5- PubChem CID
- 4409296
- DTXSID
DTXSID90402953
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 578
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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