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Stigmasta-4,23-diene-3-one
SpectraBase Compound ID 1Ciz73ZI7oH
InChI InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h9,18-20,24-27H,7-8,10-17H2,1-6H3/b21-9-/t20-,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey HILQTTDYZZBKQD-ISNLVINISA-N
Mol Weight 410.7 g/mol
Molecular Formula C29H46O
Exact Mass 410.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3vaUgFDggd
Name Stigmasta-4,23-diene-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O
InChI InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h9,18-20,24-27H,7-8,10-17H2,1-6H3/b21-9-/t20-,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey HILQTTDYZZBKQD-ISNLVINISA-N
Molecular Weight 410.686 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])(CC[C@@]1([C@@](C\C=C/(C(C)C)CC)(C)[H])[H])[H])C
SPLASH splash10-00fs-3960100000-328f2920acf63bc2e300
Source of Spectrum Y1-37-384-1
Synonyms (23Z)-stigmasta-4,23-dien-3-one
Wiley ID 1527381