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Cholest-5-ene-3,19-diol, (3.beta.)-
SpectraBase Compound ID 9xlIzjNKiQa
InChI InChI=1S/C27H46O2/c1-18(2)6-5-7-19(3)23-10-11-24-22-9-8-20-16-21(29)12-15-27(20,17-28)25(22)13-14-26(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3
InChIKey YRWIUNJQYGATHV-UHFFFAOYSA-N
Mol Weight 402.7 g/mol
Molecular Formula C27H46O2
Exact Mass 402.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9tRdDp8Ohz
Name Cholest-5-ene-3,19-diol, (3.beta.)-
CAS Registry Number 561-63-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O2
InChI InChI=1S/C27H46O2/c1-18(2)6-5-7-19(3)23-10-11-24-22-9-8-20-16-21(29)12-15-27(20,17-28)25(22)13-14-26(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3
InChIKey YRWIUNJQYGATHV-UHFFFAOYSA-N
Molecular Weight 402.663 g/mol
SMILES OCC12C(CC(CC2)O)=CCC2C1CCC1(C2CCC1C(CCCC(C)C)C)C
SPLASH splash10-0udi-0039000000-b4a1b52ca6478a54a5c6
Source of Spectrum T-68-5352-0
Synonyms Cholest-5-ene-3,19-diol 10-(hydroxymethyl)-13-methyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 17-(1,5-dimethylhexyl)-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 17-(1,5-dimethylhexyl)-13-methyl-10-methylol-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 19-Hydroxycholesterol Cholest-5-en-3.beta.,19-diol Cholest-5-en-3beta,19-diol Cholest-5-ene-3,19-diol, (3beta)- Cholest-5-ene-3.beta.,19-diol
Wiley ID 1370653