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4-Androstene-3,17-diol ,Androst-4-ene-3,17-diol ,4-Androstene-3alpha,1

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摘 要:4-Androstene-3,17-diol ,Androst-4-ene-3,17-diol ,4-Androstene-3alpha,17beta-diol,(3alpha,17beta)-Androst-4-ene-3,17-diol,1852-61-5, (3R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17
[Synonyms]
4-Androstene-3,17-diol
Androst-4-ene-3,17-diol
4-Androstene-3alpha,17beta-diol
(3alpha,17beta)-Androst-4-ene-3,17-diol
1852-61-5

[Structure]
4-Androstene-3,17-diol ,Androst-4-ene-3,17-diol ,4-Androstene-3alpha,1

[ Properties Computed from Structure]
Molecular Weight290.4403 [g/mol]
Molecular FormulaC19H30O2
XLogP3.9
H-Bond Donor2
H-Bond Acceptor2
Rotatable Bond Count0
Exact Mass290.22458
MonoIsotopic Mass290.22458
Topological Polar Surface Area40.5
Heavy Atom Count21
Formal Charge0
Complexity470
Isotope Atom Count0
Defined Atom StereoCenter Count7
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (3R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,
17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Canonical SMILES: CC12CCC3C(C1CCC2O)CCC4=CC(CCC34C)O
Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C[C@@H](CC[C@]34C)O
InChI: InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,
2)10-8-16(14)18/h11,13-17,20-21H,3-10H2,1-2H3/t13-,14+,15+,16+,17+,18+,
19+/m1/s1

 
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