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3-OXOANDROSTA-4,6-DIEN-17-YL ACETATE
SpectraBase Compound ID AOPEw64Ruda
InChI InChI=1S/C21H28O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h4-5,12,16-19H,6-11H2,1-3H3/t16?,17?,18?,19?,20-,21-/m0/s1
InChIKey PWOYPXRFSUICCT-AYSFWYFTSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1T8G34QG49
Name 3-OXOANDROSTA-4,6-DIEN-17-YL ACETATE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 328.203844759 u
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h4-5,12,16-19H,6-11H2,1-3H3/t16?,17?,18?,19?,20-,21-/m0/s1
InChIKey PWOYPXRFSUICCT-AYSFWYFTSA-N
Molecular Weight 328.452 g/mol
Nominal Mass 328 u
Number of Peaks 249
SMILES C(C)(=O)OC1CCC2C3C=CC4=CC(CC[C@@]4(C3CC[C@]12C)C)=O
SPLASH splash10-0006-6920000000-52bd4d82bfd99840f426
Source File Reference LMCM-30526-548E
Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms (2R,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-6,8-dien-14-yl acetate
Wiley ID 8_13085