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26,27-Dinorcholesta-5,22-dien-3-ol, 24-(2-methylpropyl)-, (3.beta.,22E,24R)-
SpectraBase Compound ID LmwcBbZGSze
InChI InChI=1S/C29H48O/c1-19(2)17-20(3)7-8-21(4)25-11-12-26-24-10-9-22-18-23(30)13-15-28(22,5)27(24)14-16-29(25,26)6/h7-9,19-21,23-27,30H,10-18H2,1-6H3/b8-7+/t20-,21+,23-,24-,25+,26-,27-,28-,29+/m0/s1
InChIKey KPWOSCHVRCGKCN-HODHVKKZSA-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 3UWdbgZzfra
Name 26,27-Dinorcholesta-5,22-dien-3-ol, 24-(2-methylpropyl)-, (3.beta.,22E,24R)-
Alternate Name(s) (1S,2R,5S,10S,11S,14R,15R)-14-[(2R,3E,5R)-5,7-dimethyloct-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-ol (24R)-24-methyl-26,26-dimethyl-27-norcholesta-5,22-dien-3.beta.-ol
CAS Registry Number 91229-08-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O
InChI InChI=1S/C29H48O/c1-19(2)17-20(3)7-8-21(4)25-11-12-26-24-10-9-22-18-23(30)13-15-28(22,5)27(24)14-16-29(25,26)6/h7-9,19-21,23-27,30H,10-18H2,1-6H3/b8-7+/t20-,21+,23-,24-,25+,26-,27-,28-,29+/m0/s1
InChIKey KPWOSCHVRCGKCN-HODHVKKZSA-N
Molecular Weight 412.702 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@@](CC(C)C)(C)[H])(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-0a4i-9010000000-3f589b944572b2433964
Source of Spectrum C-106-5621-0
Wiley ID 1374766