Indolene50
Basic information
- CAS
471243-86-4- Standard SMILES
C[C@]12CC[C@@H]3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O- InChIKey
VWUXBMIQPBEWFH-IOMDSJNNSA-N- Molecular formula
- C32H47F5O3S
- Average molar mass
- 606.8 g/mol
- Monoisotopic mass
- 606.31660734
Names & identifiers
- Preferred name
- Indolene50
- IUPAC
- (8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Names & synonyms
INDOLENE50SCHEMBL16351445DTXSID70861302VWUXBMIQPBEWFH-IOMDSJNNSA-N471243-86-4BRD-A83237092-001-02-0(17beta)-Estra-1,3,5(10)-triene-3,17-diol, 7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]-7-[9-(4,4,5,5,5-Pentafluoropentane-1-sulfinyl)nonyl]estra-1(10),2,4-triene-3,17beta-diol
Database identifiers
- CAS
471243-86-4- PubChem CID
- 5284640
- DTXSID
DTXSID70861302
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 854
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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