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(22E,24S)-Stigmasta-5,22-diene-3.beta.,29-diol
SpectraBase Compound ID AjlPRmj0txs
InChI InChI=1S/C29H48O2/c1-19(2)21(14-17-30)7-6-20(3)25-10-11-26-24-9-8-22-18-23(31)12-15-28(22,4)27(24)13-16-29(25,26)5/h6-8,19-21,23-27,30-31H,9-18H2,1-5H3/b7-6+/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey ZORGQLMQQUUPIX-XMGWFLLDSA-N
Mol Weight 428.7 g/mol
Molecular Formula C29H48O2
Exact Mass 428.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Uls2oDU7LZ
Name (22E,24S)-Stigmasta-5,22-diene-3.beta.,29-diol
Alternate Name(s) (3beta,22E)-stigmasta-5,22-diene-3,29-diol
CAS Registry Number 70813-83-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O2
InChI InChI=1S/C29H48O2/c1-19(2)21(14-17-30)7-6-20(3)25-10-11-26-24-9-8-22-18-23(31)12-15-28(22,4)27(24)13-16-29(25,26)5/h6-8,19-21,23-27,30-31H,9-18H2,1-5H3/b7-6+/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey ZORGQLMQQUUPIX-XMGWFLLDSA-N
Molecular Weight 428.701 g/mol
SMILES O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@@]([C@@](\C=C\[C@@](CCO)(C(C)C)[H])(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H]
SPLASH splash10-0200-0091700000-83dcebf2c37550a9f421
Source of Spectrum J-44-3381-0
Wiley ID 1380943