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[6-h3]-24-Methylene-27-methyl-3.alpha.,5-cyclocholestan-6.alpha.-ol
SpectraBase Compound ID 3otiju5g2VL
InChI InChI=1S/C29H48O/c1-7-18(2)19(3)8-9-20(4)23-10-11-24-22-16-26(30)29-17-21(29)12-15-28(29,6)25(22)13-14-27(23,24)5/h18,20-26,30H,3,7-17H2,1-2,4-6H3/t18?,20-,21-,22+,23-,24+,25+,26+,27-,28-,29?/m1/s1
InChIKey RZNHKPPKHPFDLU-LLQORZEOSA-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 Eyid3HcjcLm
Name [6-h3]-24-Methylene-27-methyl-3.alpha.,5-cyclocholestan-6.alpha.-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O
InChI InChI=1S/C29H48O/c1-7-18(2)19(3)8-9-20(4)23-10-11-24-22-16-26(30)29-17-21(29)12-15-28(29,6)25(22)13-14-27(23,24)5/h18,20-26,30H,3,7-17H2,1-2,4-6H3/t18?,20-,21-,22+,23-,24+,25+,26+,27-,28-,29?/m1/s1
InChIKey RZNHKPPKHPFDLU-LLQORZEOSA-N
Molecular Weight 412.702 g/mol
SMILES O[C@@]1(C23[C@@]([C@]4(CC[C@]5([C@]([C@@]4(C1)[H])(CC[C@@]5([C@@](CCC(=C)C(CC)C)(C)[H])[H])[H])C)[H])(CC[C@]3([H])C2)C)[H]
SPLASH splash10-0a4j-6096000000-58850e6a418fd9156201
Source of Spectrum C-108-8240-43
Synonyms (1S,2R,5R,8S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methyl-5-methylideneoctan-2-yl]pentacyclo[8.7.0.0(2,7).0(5,7).0(11,15)]heptadecan-8-ol
Wiley ID 1374788