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5-Alpha,delta-1-3-oxo-17-acetoxy-estrane
SpectraBase Compound ID AIAuGPTrklX
InChI InChI=1S/C20H28O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,13,15-19H,3,5,7-11H2,1-2H3/t13-,15-,16+,17+,18-,19?,20-/m0/s1
InChIKey YKUCUACTZARKBX-OYKLNYQRSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5rD5D8O2g49
Name 5-Alpha,delta-1-3-oxo-17-acetoxy-estrane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,13,15-19H,3,5,7-11H2,1-2H3/t13-,15-,16+,17+,18-,19?,20-/m0/s1
InChIKey YKUCUACTZARKBX-OYKLNYQRSA-N
Molecular Weight 316.441 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(C=CC(C4)=O)[H])[H])[H])(CCC1OC(=O)C)[H])C
SPLASH splash10-0aos-6947000000-caae9b3394bd8b905aca
Source of Spectrum JX-2015-6-12918
Synonyms 5-Alpha-delta-1-3-oxo-17-acetoxy-estrane (5S,8R,9S,10R,13S,14S)-13-methyl-3-oxo-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-17-yl acetate
Wiley ID 1731366