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3.beta.-Acetoxy-17.beta.-hydroxy-17.alpha.-benzyl-5-androstene
SpectraBase Compound ID G3xgNyuVfGm
InChI InChI=1S/C28H38O3/c1-19(29)31-22-11-14-26(2)21(17-22)9-10-23-24(26)12-15-27(3)25(23)13-16-28(27,30)18-20-7-5-4-6-8-20/h4-9,22-25,30H,10-18H2,1-3H3/t22-,23+,24-,25-,26-,27-,28+/m0/s1
InChIKey ZHXPJWSZBFHMCG-PCBADCMMSA-N
Mol Weight 422.6 g/mol
Molecular Formula C28H38O3
Exact Mass 422.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H0VY2Ww4fNG
Name 3.beta.-Acetoxy-17.beta.-hydroxy-17.alpha.-benzyl-5-androstene
Alternate Name(s) (3beta,17beta)-17-benzyl-17-hydroxyandrost-5-en-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38O3
InChI InChI=1S/C28H38O3/c1-19(29)31-22-11-14-26(2)21(17-22)9-10-23-24(26)12-15-27(3)25(23)13-16-28(27,30)18-20-7-5-4-6-8-20/h4-9,22-25,30H,10-18H2,1-3H3/t22-,23+,24-,25-,26-,27-,28+/m0/s1
InChIKey ZHXPJWSZBFHMCG-PCBADCMMSA-N
Molecular Weight 422.609 g/mol
SMILES O[C@@]1([C@]2(CC[C@@]3([C@@]4(C(=CC[C@]3([C@@]2(CC1)[H])[H])C[C@@](OC(=O)C)(CC4)[H])C)[H])C)Cc1ccccc1
SPLASH splash10-000f-9600000000-d1dd506f9c02593af7fc
Source of Spectrum Y5-58-618-3
Wiley ID 879329