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Cholestan-3-one, 2-(1-methylethylidene)-, cyclic 1,2-ethanediyl acetal, (5.alpha.)-
SpectraBase Compound ID qSarwcVyKu
InChI InChI=1S/C32H54O2/c1-21(2)9-8-10-23(5)26-13-14-27-25-12-11-24-19-32(33-17-18-34-32)29(22(3)4)20-31(24,7)28(25)15-16-30(26,27)6/h21,23-28H,8-20H2,1-7H3/t23-,24+,25+,26-,27+,28+,30-,31+/m1/s1
InChIKey RQCFBLKZDXXWHV-CBMTUKABSA-N
Mol Weight 470.8 g/mol
Molecular Formula C32H54O2
Exact Mass 470.412381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jahe85rOMSB
Name Cholestan-3-one, 2-(1-methylethylidene)-, cyclic 1,2-ethanediyl acetal, (5.alpha.)-
CAS Registry Number 54498-61-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H54O2
InChI InChI=1S/C32H54O2/c1-21(2)9-8-10-23(5)26-13-14-27-25-12-11-24-19-32(33-17-18-34-32)29(22(3)4)20-31(24,7)28(25)15-16-30(26,27)6/h21,23-28H,8-20H2,1-7H3/t23-,24+,25+,26-,27+,28+,30-,31+/m1/s1
InChIKey RQCFBLKZDXXWHV-CBMTUKABSA-N
Molecular Weight 470.782 g/mol
SMILES [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2(CC2(OCCO2)C(C1)=C(C)C)[H])[H])C
SPLASH splash10-052e-9410000000-73a87f2a5d15a644fc7c
Source of Spectrum SD-1981-0-0
Synonyms (1'S,2'S,7'S,10'R,11'S,14'R,15'R)-2',15'-dimethyl-14'-[(2R)-6-methylheptan-2-yl]-4'-(propan-2-ylidene)spiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane]
Wiley ID 1393029