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7.alpha.-(9-Acetoxynonyl)estr-4-en-3,17-dione
SpectraBase Compound ID 2xNsQYUPC39
InChI InChI=1S/C29H44O4/c1-20(30)33-17-9-7-5-3-4-6-8-10-21-18-22-19-23(31)11-12-24(22)25-15-16-29(2)26(28(21)25)13-14-27(29)32/h19,21,24-26,28H,3-18H2,1-2H3/t21-,24+,25-,26+,28-,29+/m1/s1
InChIKey BVWVMHZTYSFPKS-HOHNTZRMSA-N
Mol Weight 456.7 g/mol
Molecular Formula C29H44O4
Exact Mass 456.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHPav82Pxal
Name 7.alpha.-(9-Acetoxynonyl)estr-4-en-3,17-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H44O4
InChI InChI=1S/C29H44O4/c1-20(30)33-17-9-7-5-3-4-6-8-10-21-18-22-19-23(31)11-12-24(22)25-15-16-29(2)26(28(21)25)13-14-27(29)32/h19,21,24-26,28H,3-18H2,1-2H3/t21-,24+,25-,26+,28-,29+/m1/s1
InChIKey BVWVMHZTYSFPKS-HOHNTZRMSA-N
Molecular Weight 456.667 g/mol
SMILES C1(CC[C@]2(C(=C1)C[C@]([C@]1([C@@]3(CCC([C@@]3(C)CC[C@]21[H])=O)[H])[H])(CCCCCCCCCOC(=O)C)[H])[H])=O
SPLASH splash10-00di-0090200000-b44d9d32f551af29b9da
Source of Spectrum K-2002-2277-5
Synonyms 9-[(7alpha)-3,17-dioxoestr-4-en-7-yl]nonyl acetate
Wiley ID 1613073