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(4bS,7S,8aS)-7-[(1R)-1-hydroxyprop-2-ynyl]-7-methyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol

(4bS,7S,8aS)-7-[(1R)-1-hydroxyprop-2-ynyl]-7-methyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol structure

CAS No:
104849-39-0
Formula:
C18H22O2
Chemical Name:
(4bS,7S,8aS)-7-[(1R)-1-hydroxyprop-2-ynyl]-7-methyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol
Synonyms:
14,15-secoestra-1,3,5(10)-trien-15-yne-3,17-diol;14,15-SETYD;104849-39-0;14,15-Setyd;SCHEMBL10536688;14,15-Secoestra-1,3,5(10)-trien-15-yne-3,17-diol;DTXSID40909245;7-(1-Hydroxyprop-2-yn-1-yl)-7-methyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol

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(4bS,7S,8aS)-7-[(1R)-1-hydroxyprop-2-ynyl]-7-methyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol Basic Attributes

Molecular Weight：

270.4 g/mol

Exact Mass：

270.161979940 g/mol

Characteristics

PSA：

40.5 Å²

Drug Information

MeSH Entry Terms：

14,15-secoestra-1,3,5(10)-trien-15-yne-3,17-diol

Computed Properties

Molecular Weight:270.4
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:270.161979940
Monoisotopic Mass:270.161979940
Topological Polar Surface Area:40.5
Heavy Atom Count:20
Complexity:409
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (4bS,7S,8aS)-7-[(1R)-1-hydroxyprop-2-ynyl]-7-methyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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