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24-ALPHA-SPINASTEROL
SpectraBase Compound ID mdR9hDQkuD
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+/m0/s1
InChIKey JZVFJDZBLUFKCA-WXLCKZGWSA-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 B1Q9odhUzLM
Name .alpha.-Spinasterol
CAS Registry Number 481-18-5
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 412.370516165 u
Formula C29H48O
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
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+/m0/s1
InChIKey JZVFJDZBLUFKCA-WXLCKZGWSA-N
Molecular Weight 412.702 g/mol
Nominal Mass 412 u
Number of Peaks 457
SMILES O[C@@]1(C[C@]2([C@@]([C@@]3(C([C@]4([C@@]([C@](CC4)(C(C)\C=C\C(C(C)C)CC)[H])(CC3)C)[H])=CC2)[H])(CC1)C)[H])[H]
SPLASH splash10-0a59-8961000000-0ad34900ee0c19e1e530
Source Cayman Chemicals
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Synonyms Bessisterol; Stigmasta-7,22-dien-3-ol
Wiley ID VI001801