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3,3-(Ethylenedioxy)-5.alpha.-cholesta-6,8(14)-diene
SpectraBase Compound ID 3hZqm2603tj
InChI InChI=1S/C29H46O2/c1-20(2)7-6-8-21(3)24-11-12-25-23-10-9-22-19-29(30-17-18-31-29)16-15-27(22,4)26(23)13-14-28(24,25)5/h9-10,20-22,24,26H,6-8,11-19H2,1-5H3/t21-,22+,24-,26+,27+,28-/m1/s1
InChIKey HOTGAQDXWWZBSX-NKWZVXGZSA-N
Mol Weight 426.7 g/mol
Molecular Formula C29H46O2
Exact Mass 426.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSuRTLWhaki
Name 3,3-(Ethylenedioxy)-5.alpha.-cholesta-6,8(14)-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O2
InChI InChI=1S/C29H46O2/c1-20(2)7-6-8-21(3)24-11-12-25-23-10-9-22-19-29(30-17-18-31-29)16-15-27(22,4)26(23)13-14-28(24,25)5/h9-10,20-22,24,26H,6-8,11-19H2,1-5H3/t21-,22+,24-,26+,27+,28-/m1/s1
InChIKey HOTGAQDXWWZBSX-NKWZVXGZSA-N
Molecular Weight 426.685 g/mol
SMILES C12=C3[C@]([C@]4(CCC5(C[C@@]4(C=C3)[H])OCCO5)C)([H])CC[C@@]1([C@@]([C@@](CCCC(C)C)(C)[H])(CC2)[H])C
SPLASH splash10-004i-1311900000-5637f9dd56abd6f2fe84
Source of Spectrum F-47-7065-9
Synonyms (1'R,2'S,7'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)]heptadecane]-8',10'-diene
Wiley ID 1380155