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3.beta.-Acetoxy-17-benzylidene-5-androstene
SpectraBase Compound ID HqKGbwRoD8I
InChI InChI=1S/C28H36O2/c1-19(29)30-23-13-15-27(2)22(18-23)9-11-24-25-12-10-21(17-20-7-5-4-6-8-20)28(25,3)16-14-26(24)27/h4-9,17,23-26H,10-16,18H2,1-3H3/b21-17+/t23-,24-,25-,26-,27-,28+/m0/s1
InChIKey OJIRMKOCZJAODG-GXSRCVHLSA-N
Mol Weight 404.6 g/mol
Molecular Formula C28H36O2
Exact Mass 404.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AP8SSOSfVku
Name 3.beta.-Acetoxy-17-benzylidene-5-androstene
Alternate Name(s) (3beta)-17-benzylideneandrost-5-en-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36O2
InChI InChI=1S/C28H36O2/c1-19(29)30-23-13-15-27(2)22(18-23)9-11-24-25-12-10-21(17-20-7-5-4-6-8-20)28(25,3)16-14-26(24)27/h4-9,17,23-26H,10-16,18H2,1-3H3/b21-17+/t23-,24-,25-,26-,27-,28+/m0/s1
InChIKey OJIRMKOCZJAODG-GXSRCVHLSA-N
Molecular Weight 404.594 g/mol
SMILES [C@]12(\C(=C\c3ccccc3)CC[C@]1([C@@]1(CC=C3[C@@]([C@]1(CC2)[H])(CC[C@](OC(=O)C)(C3)[H])C)[H])[H])C
SPLASH splash10-0007-0649100000-7927e9c4facec0dd85d2
Source of Spectrum Y5-58-618-4
Wiley ID 879328