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7.beta.-Methyl-3-ethylenedioxycholest-5-ene
SpectraBase Compound ID AnNPVKWRQV5
InChI InChI=1S/C30H50O2/c1-20(2)8-7-9-21(3)24-10-11-25-27-22(4)18-23-19-30(31-16-17-32-30)15-14-28(23,5)26(27)12-13-29(24,25)6/h18,20-22,24-27H,7-17,19H2,1-6H3/t21-,22+,24-,25+,26+,27+,28+,29-/m1/s1
InChIKey VVXZXTXPCWHVIW-ACLPKEGOSA-N
Mol Weight 442.7 g/mol
Molecular Formula C30H50O2
Exact Mass 442.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KWjW5RxxXMs
Name 7.beta.-Methyl-3-ethylenedioxycholest-5-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O2
InChI InChI=1S/C30H50O2/c1-20(2)8-7-9-21(3)24-10-11-25-27-22(4)18-23-19-30(31-16-17-32-30)15-14-28(23,5)26(27)12-13-29(24,25)6/h18,20-22,24-27H,7-17,19H2,1-6H3/t21-,22+,24-,25+,26+,27+,28+,29-/m1/s1
InChIKey VVXZXTXPCWHVIW-ACLPKEGOSA-N
Molecular Weight 442.728 g/mol
SMILES [C@@]12([C@]([C@@]3([C@](C=C4[C@@]([C@]3(CC2)[H])(CCC2(C4)OCCO2)C)(C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-0002-9000000000-cd0ebdc3462da0866597
Source of Spectrum QC-9-1632-7
Wiley ID 870496