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(5'.alpha.,7'.beta.)-4',4'-Dimethylspiro[1,3-dioxolane-2,3'-cholestan-7'-ol]
SpectraBase Compound ID BSpgeWMSz6w
InChI InChI=1S/C31H54O3/c1-20(2)9-8-10-21(3)22-11-12-23-27-24(13-14-29(22,23)6)30(7)15-16-31(33-17-18-34-31)28(4,5)26(30)19-25(27)32/h20-27,32H,8-19H2,1-7H3/t21-,22-,23+,24?,25+,26+,27+,29-,30-/m1/s1
InChIKey PXPUPDYJWMUUDB-ANWNGJSISA-N
Mol Weight 474.8 g/mol
Molecular Formula C31H54O3
Exact Mass 474.407296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gi5IfYNfpp
Name (5'.alpha.,7'.beta.)-4',4'-Dimethylspiro[1,3-dioxolane-2,3'-cholestan-7'-ol]
Alternate Name(s) (2'R,7'R,9'S,10'S,11'S,14'R,15'R)-2',6',6',15'-tetramethyl-14'-[(2R)-6-methylheptan-2-yl]spiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane]-9'-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H54O3
InChI InChI=1S/C31H54O3/c1-20(2)9-8-10-21(3)22-11-12-23-27-24(13-14-29(22,23)6)30(7)15-16-31(33-17-18-34-31)28(4,5)26(30)19-25(27)32/h20-27,32H,8-19H2,1-7H3/t21-,22-,23+,24?,25+,26+,27+,29-,30-/m1/s1
InChIKey PXPUPDYJWMUUDB-ANWNGJSISA-N
Molecular Weight 474.770 g/mol
SMILES O[C@@]1([C@]2([C@@]3(CC[C@@]([C@]3(CCC2[C@@]2([C@](C(C)(C)C3(CC2)OCCO3)(C1)[H])C)C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[H]
SPLASH splash10-0002-9000000000-3f3dc8e580d4430f4cdf
Source of Spectrum J-61-864-10
Wiley ID 1394036