Basic information
- CAS
5831-03-8- Standard SMILES
CCSC(=O)N[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]32)C1- InChIKey
QSWYKRYGPDOGAQ-GCAQEVDCSA-N- Molecular formula
- C24H39NO3S
- Average molar mass
- 421.6 g/mol
- Monoisotopic mass
- 421.26506528
Names & identifiers
- Preferred name
- [(3R,5S,8R,9S,10S,13S,14S,17S)-3-(ethylsulfanylcarbonylamino)-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
- [(3R,5S,8R,9S,10S,13S,14S,17S)-3-(ethylsulfanylcarbonylamino)-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
NSC100060NSC-1000605831-03-8
Database identifiers
- CAS
5831-03-8- PubChem CID
- 264753
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 654
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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