A-Nor-3,7-bisthiaestra-1,5(10),8,14-tetraen-17(e)-ol
Basic information
- CAS
77255-07-3- Standard SMILES
C[C@@]12CCC3=C(SCc4sccc43)C1=CC[C@H]2O- InChIKey
LTORIGUQFFYITA-UKRRQHHQSA-N- Molecular formula
- C15H16OS2
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.06425748
Overview
structure in first source
Names & identifiers
- Preferred name
- A-Nor-3,7-bisthiaestra-1,5(10),8,14-tetraen-17(e)-ol
- IUPAC
- (13R,14R)-14-methyl-5,8-dithiatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),2(6),3,10-tetraen-13-ol
- English name
- A-nor-3,7-bisthiaestra-1,5(10),8,14-tetraen-17(e)-ol
- Molecular formula
- C15H16OS2
- Molecular weight
- 276.41694
Names & synonyms
Nbte-teo77255-07-3A-Nor-3,7-bisthiaestra-1,5(10),8,14-tetraen-17(e)-olDTXSID40227991RefChem:108408DTXCID90150482(5aR,6R)-5a-Methyl-4,5,5a,6,7,10-hexahydroindeno[4,5-b]thieno[3,2-d]thiopyran-6-olCyclopenta(h)thieno(2,3-c)(1)benzothiopyran-6-ol, 4,5,5a,6,7,10-hexahydro-5a-methyl-, cis-(+-)-
Database identifiers
- CAS
77255-07-3- PubChem CID
- 196018
- DTXSID
DTXSID40227991
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 453
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Related reactions
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Compound notes
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