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3,3-(Ethylenedioxy)-cholest-7-en-5.alpha.-ol
SpectraBase Compound ID B1HiYiTExBv
InChI InChI=1S/C29H48O3/c1-20(2)7-6-8-21(3)23-9-10-24-22-11-14-28(30)19-29(31-17-18-32-29)16-15-27(28,5)25(22)12-13-26(23,24)4/h11,20-21,23-25,30H,6-10,12-19H2,1-5H3/t21-,23-,24+,25+,26-,27-,28-/m1/s1
InChIKey VZQFBZWXFFDPKU-GGTDJHABSA-N
Mol Weight 444.7 g/mol
Molecular Formula C29H48O3
Exact Mass 444.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJ74RlucvW4
Name 3,3-(Ethylenedioxy)-cholest-7-en-5.alpha.-ol
Alternate Name(s) (1'S,2'R,7'R,11'R,14'R,15'R)-2',15'-dimethyl-14'-[(2R)-6-methylheptan-2-yl]spiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan]-9'-en-7'-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O3
InChI InChI=1S/C29H48O3/c1-20(2)7-6-8-21(3)23-9-10-24-22-11-14-28(30)19-29(31-17-18-32-29)16-15-27(28,5)25(22)12-13-26(23,24)4/h11,20-21,23-25,30H,6-10,12-19H2,1-5H3/t21-,23-,24+,25+,26-,27-,28-/m1/s1
InChIKey VZQFBZWXFFDPKU-GGTDJHABSA-N
Molecular Weight 444.700 g/mol
SMILES O[C@]12CC=C3[C@]4([C@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC4)[H])(C)CC[C@@]3([C@]2(CCC2(C1)OCCO2)C)[H])[H]
SPLASH splash10-01tc-0204900000-5cb78240591eeae897e8
Source of Spectrum F-47-7065-10
Wiley ID 1386185