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3-Acetamino-17beta-hydroxy-Estra-1,3,5(10),9(11)-tetraen-12-one
SpectraBase Compound ID BJ0gQ3DEKu6
InChI InChI=1S/C20H23NO3/c1-11(22)21-13-4-6-14-12(9-13)3-5-15-16(14)10-19(24)20(2)17(15)7-8-18(20)23/h4,6,9-10,15,17-18,23H,3,5,7-8H2,1-2H3,(H,21,22)/t15-,17+,18+,20+/m1/s1
InChIKey SXOSULXIBNILQF-HYJFEMIMSA-N
Mol Weight 325.41 g/mol
Molecular Formula C20H23NO3
Exact Mass 325.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JrVg1k4mjB
Name 3-Acetamino-17beta-hydroxy-Estra-1,3,5(10),9(11)-tetraen-12-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23NO3
InChI InChI=1S/C20H23NO3/c1-11(22)21-13-4-6-14-12(9-13)3-5-15-16(14)10-19(24)20(2)17(15)7-8-18(20)23/h4,6,9-10,15,17-18,23H,3,5,7-8H2,1-2H3,(H,21,22)/t15-,17+,18+,20+/m1/s1
InChIKey SXOSULXIBNILQF-HYJFEMIMSA-N
Literature Reference DOI 10.1002/cber.19711040807
Molecular Weight 325.408 g/mol
SMILES O[C@@]1([C@@]2([C@@]([C@@]3(CCc4c(ccc(c4)NC(=O)C)C3=CC2=O)[H])([H])CC1)C)[H]
SPLASH splash10-004j-0984000000-6d949482e112e293b87b
Source of Spectrum K-104-2404-6g
Synonyms N-((8S,13S,14S,17S)-17-hydroxy-13-methyl-12-oxo-7,8,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl)acetamide
Wiley ID 1793441