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5-.alpha.-cholestan-3-.alpha.-yl benzoate
SpectraBase Compound ID L5s0j652gI6
InChI InChI=1S/C34H52O2/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/h6-8,12-13,23-24,26-31H,9-11,14-22H2,1-5H3
InChIKey YVXZAWFNDQLXBU-UHFFFAOYSA-N
Mol Weight 492.8 g/mol
Molecular Formula C34H52O2
Exact Mass 492.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L1oVnfdw3oI
Name 5-.alpha.-cholestan-3-.alpha.-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H52O2
InChI InChI=1S/C34H52O2/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/h6-8,12-13,23-24,26-31H,9-11,14-22H2,1-5H3
InChIKey YVXZAWFNDQLXBU-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 492.788 g/mol
SMILES C1C2C(CCC1OC(=O)c1ccccc1)(C)C1C(CC2)C2C(CC1)(C)C(C(CCCC(C)C)C)CC2
SPLASH splash10-0aou-9842000000-6836840a5e32bb11dd50
Source of Spectrum SRH-2022-4520-0
Synonyms Epicholestanyl benzoate
Wiley ID 1826677