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23-vinyl-23-methyl-26,27-dinorergost-5-en-3.beta.-ol A
SpectraBase Compound ID 123wa1nDhsJ
InChI InChI=1S/C29H48O/c1-7-15-27(4,8-2)19-20(3)24-11-12-25-23-10-9-21-18-22(30)13-16-28(21,5)26(23)14-17-29(24,25)6/h8-9,20,22-26,30H,2,7,10-19H2,1,3-6H3/t20-,22+,23?,24?,25?,26?,27?,28+,29-/m1/s1
InChIKey UMFYTZUHJXOTSS-APXOQNFJSA-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 7JOfy5eqWco
Name 23-vinyl-23-methyl-26,27-dinorergost-5-en-3.beta.-ol A
CAS Registry Number 119879-62-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O
InChI InChI=1S/C29H48O/c1-7-15-27(4,8-2)19-20(3)24-11-12-25-23-10-9-21-18-22(30)13-16-28(21,5)26(23)14-17-29(24,25)6/h8-9,20,22-26,30H,2,7,10-19H2,1,3-6H3/t20-,22+,23?,24?,25?,26?,27?,28+,29-/m1/s1
InChIKey UMFYTZUHJXOTSS-APXOQNFJSA-N
Molecular Weight 412.702 g/mol
SMILES O[C@]1(CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4[C@@](CC(C=C)(CCC)C)(C)[H])C)C)[H]
SPLASH splash10-0ir0-1079200000-0c1d4ccd6974fab44ba1
Source of Spectrum J-54-2124-63
Synonyms (2R,5S,15R)-14-[(2R)-4-ethenyl-4-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-ol
Wiley ID 1374818