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17.alpha.-Acetyl-13.alpha.-hydroxy-11.alpha.-benzyloxymethylgona-1,3,5(10)-triene
SpectraBase Compound ID 8VgV4dlFRvP
InChI InChI=1S/C27H32O3/c1-18(28)24-13-14-25-23-12-11-20-9-5-6-10-22(20)26(23)21(15-27(24,25)29)17-30-16-19-7-3-2-4-8-19/h2-10,21,23-26,29H,11-17H2,1H3/t21-,23-,24-,25-,26?,27+/m0/s1
InChIKey KGLUSCYCEIQNTF-FNNLKLPASA-N
Mol Weight 404.6 g/mol
Molecular Formula C27H32O3
Exact Mass 404.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxKyr9l4yL0
Name 17.alpha.-Acetyl-13.alpha.-hydroxy-11.alpha.-benzyloxymethylgona-1,3,5(10)-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32O3
InChI InChI=1S/C27H32O3/c1-18(28)24-13-14-25-23-12-11-20-9-5-6-10-22(20)26(23)21(15-27(24,25)29)17-30-16-19-7-3-2-4-8-19/h2-10,21,23-26,29H,11-17H2,1H3/t21-,23-,24-,25-,26?,27+/m0/s1
InChIKey KGLUSCYCEIQNTF-FNNLKLPASA-N
Molecular Weight 404.550 g/mol
SMILES O[C@@]12[C@]([C@@]3(CCc4c(C3[C@@](C2)(COCc2ccccc2)[H])cccc4)[H])(CC[C@]1(C(=O)C)[H])[H]
SPLASH splash10-0006-9430000000-012e49a5e62ded8e8eeb
Source of Spectrum F-53-7586-24
Wiley ID 802344