Basic information
- CAS
2722-98-7- Standard SMILES
CC1(C2CCC3C4CC=C5CC(O)CCC5(C)C4CCC32C)SCCS1- InChIKey
YSRMOHKTUULTMZ-UHFFFAOYSA-N- Molecular formula
- C23H36OS2
- Average molar mass
- 392.7 g/mol
- Monoisotopic mass
- 392.22075811
Names & identifiers
- Preferred name
- 17-(2-Methyl-1,3-dithiolan-2-yl)androst-5-en-3-ol
- IUPAC
- 10,13-dimethyl-17-(2-methyl-1,3-dithiolan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Names & synonyms
2722-98-717-(2-methyl-1,3-dithiolan-2-yl)androst-5-en-3-olNSC119032DTXSID60949946NSC-119032
Database identifiers
- CAS
2722-98-7- PubChem CID
- 273656
- DTXSID
DTXSID60949946
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 609
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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