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Cholesta-5,7-dien-3-ol, benzoate, (3.beta.)-
SpectraBase Compound ID 97aLA5TEFAn
InChI InChI=1S/C34H48O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-15,23-24,27,29-31H,9-11,16-22H2,1-5H3
InChIKey IHOQNBAZWVTKFK-UHFFFAOYSA-N
Mol Weight 488.8 g/mol
Molecular Formula C34H48O2
Exact Mass 488.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3QESn0Hc4cb
Name Cholesta-5,7-dien-3-ol, benzoate, (3.beta.)-
Alternate Name(s) Cholesta-5,7-dien-3-yl benzoate .delta.5,7-Cholesteryl benzoate 3.beta.-Benzoyloxycholesta-5,7-diene 5,7-Cholestandien-3.beta.-ol, benzoate 7-Dehydrocholesterol benzoate 7-Dehydrocholesteryl benzoate Cholesta-5,7-dien-3-ol, benzoate, (3beta)- Cholesta-5,7-dien-3.beta.-ol, benzoate delta5,7-Cholesteryl benzoate benzoic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate EINECS 214-653-6 NSC 18184
CAS Registry Number 1182-06-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H48O2
InChI InChI=1S/C34H48O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-15,23-24,27,29-31H,9-11,16-22H2,1-5H3
InChIKey IHOQNBAZWVTKFK-UHFFFAOYSA-N
Molecular Weight 488.756 g/mol
SMILES CC12C3C(C4C(C)(C(C(CCCC(C)C)C)CC4)CC3)=CC=C1CC(OC(=O)c1ccccc1)CC2
SPLASH splash10-0aor-0905100000-ccccf2762f26c91d79b6
Source of Spectrum F-32-1099-0
Wiley ID 1397011