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(22E)-Stigmasta-7,22-dien-3-ol
SpectraBase Compound ID 5zu9MuinCI1
InChI InChI=1S/C29H48O/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/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22?,23?,25-,26+,27+,28+,29-/m1/s1
InChIKey JZVFJDZBLUFKCA-HLCVIWTESA-N
Mol Weight 412.7 g/mol
Molecular Formula C29H48O
Exact Mass 412.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qjkw3QUF3t
Name (22E)-Stigmasta-7,22-dien-3-ol
CAS Registry Number 54482-55-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O
InChI InChI=1S/C29H48O/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/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22?,23?,25-,26+,27+,28+,29-/m1/s1
InChIKey JZVFJDZBLUFKCA-HLCVIWTESA-N
Molecular Weight 412.702 g/mol
SMILES OC1CC2CC=C3[C@]4([C@]([C@@]([C@@](\C=C\[C@](C(C)C)(CC)[H])(C)[H])(CC4)[H])(C)CC[C@@]3([C@]2(CC1)C)[H])[H]
SPLASH splash10-03di-7391400000-354a23c0c84b0d7dd6f9
Source of Spectrum SD-1981-0-0
Synonyms (9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 58099