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Stigmasta-5,23,28-trien-3-ol, (3.beta.)-

View entire compound with spectra: 1 MS (GC)

Stigmasta-5,23,28-trien-3-ol, (3.beta.)-
SpectraBase Compound ID KibZ2I7gJna
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/h7,9-10,19-20,23-27,30H,1,8,11-18H2,2-6H3/b21-9+/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey VMPRAABPKSNJFQ-JACNMLTHSA-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 EPWgyRaWNnW
Name Stigmasta-5,23,28-trien-3-ol, (3.beta.)-
Alternate Name(s) (3beta,23Z)-stigmasta-5,23,28-trien-3-ol 24-Ethylcholesta-5,23,28-trien-3.beta.-ol
CAS Registry Number 85735-40-6
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/h7,9-10,19-20,23-27,30H,1,8,11-18H2,2-6H3/b21-9+/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey VMPRAABPKSNJFQ-JACNMLTHSA-N
Molecular Weight 410.686 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](C\C=C/(C=C)C(C)C)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-00di-0091100000-3afd24bab332b501426e
Source of Spectrum C-105-4416-0
Wiley ID 1373920