For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-Acetoxyandrosta-1,4-dine-3,6,17-trione
SpectraBase Compound ID AxbBeEqxMAA
InChI InChI=1S/C21H24O5/c1-11(22)26-18-10-21(3)14-6-7-20(2)13(4-5-19(20)25)12(14)8-16(23)15(21)9-17(18)24/h9-10,12-14H,4-8H2,1-3H3
InChIKey YBGZSWUXUOZZBN-UHFFFAOYSA-N
Mol Weight 356.42 g/mol
Molecular Formula C21H24O5
Exact Mass 356.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AMKx7zOdJ0F
Name 2-Acetoxyandrosta-1,4-dine-3,6,17-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O5
InChI InChI=1S/C21H24O5/c1-11(22)26-18-10-21(3)14-6-7-20(2)13(4-5-19(20)25)12(14)8-16(23)15(21)9-17(18)24/h9-10,12-14H,4-8H2,1-3H3
InChIKey YBGZSWUXUOZZBN-UHFFFAOYSA-N
Molecular Weight 356.418 g/mol
SMILES C12(C(=CC(C(=C2)OC(=O)C)=O)C(=O)CC2C1CCC1(C(=O)CCC21)C)C
SPLASH splash10-03di-0019000000-3c1ad1fcbff286148afa
Source of Spectrum KC-0-2977-4
Synonyms 3,6,17-trioxoandrosta-1,4-dien-2-yl acetate
Wiley ID 780201