Basic information
- CAS
24909-60-2- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccc(N=Nc6ccccc6)cc5)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
ZJEHXCIPPYQSCO-HOKOKXPTSA-N- Molecular formula
- C40H54N2O2
- Average molar mass
- 594.9 g/mol
- Monoisotopic mass
- 594.41852897
Names & identifiers
- Preferred name
- [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-phenyldiazenylbenzoate
- IUPAC
- [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-phenyldiazenylbenzoate
Names & synonyms
NSC31325SCHEMBL11678310NSC-3132524909-60-2
Database identifiers
- CAS
24909-60-2- PubChem CID
- 233186
- Nikkaji
- J984.898C
Properties
Computed structural properties
- XLogP
- 12.6
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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