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3-Acetamino-Estra-1,3,5(10)-trien-17beta-ol
SpectraBase Compound ID 6amL1Qu9Gq
InChI InChI=1S/C20H27NO2/c1-12(22)21-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)23/h4,6,11,16-19,23H,3,5,7-10H2,1-2H3,(H,21,22)/t16-,17-,18+,19+,20+/m1/s1
InChIKey AYAUWSHPVUESIB-SLHNCBLASA-N
Mol Weight 313.44 g/mol
Molecular Formula C20H27NO2
Exact Mass 313.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2ZO9zN9xba
Name 3-Acetamino-Estra-1,3,5(10)-trien-17beta-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO2
InChI InChI=1S/C20H27NO2/c1-12(22)21-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)23/h4,6,11,16-19,23H,3,5,7-10H2,1-2H3,(H,21,22)/t16-,17-,18+,19+,20+/m1/s1
InChIKey AYAUWSHPVUESIB-SLHNCBLASA-N
Literature Reference DOI 10.1002/cber.19711040807
Molecular Weight 313.441 g/mol
SMILES N(c1cc2CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@@]3(c2cc1)[H])C)(O)[H])[H])[H])C(=O)C
SPLASH splash10-03di-0955000000-237d3452cb97022c4056
Source of Spectrum K-104-2403-1g
Synonyms N-((8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl)acetamide
Wiley ID 1793432