A-Nor-3-thiaestra-1,5(10)-dien-17beta-ol

HCID 191995

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 71995-93-2
Standard SMILES: C[C@]12CC[C@@H]3c4ccsc4CC[C@H]3[C@@H]1CC[C@@H]2O
InChIKey: JWZLPBSNBPYKOV-AYCVOAMHSA-N
Molecular formula: C16H22OS
Average molar mass: 262.4 g/mol
Monoisotopic mass: 262.13913649

Names & identifiers

Preferred name: A-Nor-3-thiaestra-1,5(10)-dien-17beta-ol
IUPAC: (3bS,5aS,6S,8aS,8bS)-5a-methyl-3b,4,5,6,7,8,8a,8b,9,10-decahydroindeno[5,4-e][1]benzothiol-6-ol

Names & synonyms

71995-93-2A-Nor-3-thiaestra-1,5(10)-dien-17beta-ol(3bs,5as,6s,8as,8bs)-5a-methyl-4,5,5a,6,7,8,8a,8b,9,10-decahydro-3bh-cyclopenta[5,6]naphtho[2,1-b]thiophene-6-olDTXSID50992683A-Nor-3-thiaestra-1,5(10)-dien-17-ol, (17beta)-(+-)-5a-Methyl-4,5,5a,6,7,8,8a,8b,9,10-decahydro-3bH-cyclopenta[5,6]naphtho[2,1-b]thiophene-6-ol

Database identifiers

CAS: 71995-93-2
PubChem CID: 191995
DTXSID: DTXSID50992683

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 48.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 18
Formal charge: 0
Complexity: 344

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…