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3-Benzoyloxy-13-methyl-17-[3-(2-oxocyclopentyl)propyn-1-yl]-19-nor-androst-1,3,5(10),16-tetraene
SpectraBase Compound ID 21p3iayvazs
InChI InChI=1S/C33H34O3/c1-33-20-19-28-27-17-15-26(36-32(35)23-7-3-2-4-8-23)21-24(27)13-16-29(28)30(33)18-14-25(33)11-5-9-22-10-6-12-31(22)34/h2-4,7-8,14-15,17,21-22,28-30H,6,9-10,12-13,16,18-20H2,1H3
InChIKey APRDWQUWNFDYME-UHFFFAOYSA-N
Mol Weight 478.6 g/mol
Molecular Formula C33H34O3
Exact Mass 478.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1kijGd4e8Z4
Name 3-Benzoyloxy-13-methyl-17-[3-(2-oxocyclopentyl)propyn-1-yl]-19-nor-androst-1,3,5(10),16-tetraene
Alternate Name(s) 17-[3-(2-oxocyclopentyl)-1-propynyl]estra-1,3,5(10),16-tetraen-3-yl benzoate 3-Benzoyloxy-13-methyl-14-[3-(2-oxocyclopentyl)propyn-1-yl]androst-1,2,4,14-tetraene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H34O3
InChI InChI=1S/C33H34O3/c1-33-20-19-28-27-17-15-26(36-32(35)23-7-3-2-4-8-23)21-24(27)13-16-29(28)30(33)18-14-25(33)11-5-9-22-10-6-12-31(22)34/h2-4,7-8,14-15,17,21-22,28-30H,6,9-10,12-13,16,18-20H2,1H3
InChIKey APRDWQUWNFDYME-UHFFFAOYSA-N
Molecular Weight 478.632 g/mol
SMILES C12(C(C3CCc4c(C3CC2)ccc(OC(=O)c2ccccc2)c4)CC=C1C#CCC1C(=O)CCC1)C
SPLASH splash10-0a4i-1900000000-a12611cf6c4712f1b288
Source of Spectrum F-54-15263-2
Wiley ID 810004