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5B-PREGNANONE(20), 3B-ACETOXY-21-BENZYLIDENE-
SpectraBase Compound ID 4IUmWeBA5ki
InChI InChI=1S/C30H40O3/c1-20(31)33-23-15-17-29(2)22(19-23)10-11-24-25-12-13-27(30(25,3)18-16-26(24)29)28(32)14-9-21-7-5-4-6-8-21/h4-9,14,22-27H,10-13,15-19H2,1-3H3/b14-9+
InChIKey SWTNFHMWIPZFLE-NTEUORMPSA-N
Mol Weight 448.6 g/mol
Molecular Formula C30H40O3
Exact Mass 448.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 397kITZpfxu
Name 5B-PREGNANONE(20), 3B-ACETOXY-21-BENZYLIDENE-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C30H40O3
InChI InChI=1S/C30H40O3/c1-20(31)33-23-15-17-29(2)22(19-23)10-11-24-25-12-13-27(30(25,3)18-16-26(24)29)28(32)14-9-21-7-5-4-6-8-21/h4-9,14,22-27H,10-13,15-19H2,1-3H3/b14-9+
InChIKey SWTNFHMWIPZFLE-NTEUORMPSA-N
Instrument Name CH5
Molecular Weight 448.2967
SMILES CC(OC1CCC2(C3CCC4(C(C(\C=C\c5ccccc5)=O)CCC4C3CCC2C1)C)C)=O
SPLASH splash10-001i-5921000000-63ea4b2b266fe22ce491
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany