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3,3-(Ethylenedioxy)-cholesta-5,7-diene
SpectraBase Compound ID JexvE9Y3fYp
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/h9-10,20-21,24-26H,6-8,11-19H2,1-5H3/t21-,24-,25+,26+,27+,28-/m1/s1
InChIKey MGYIFUBHFPITBP-APAJTHRUSA-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 5IVNebOnw5W
Name 3,3-(Ethylenedioxy)-cholesta-5,7-diene
Alternate Name(s) (1'S,2'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)]heptadecane]-7',9'-diene
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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/h9-10,20-21,24-26H,6-8,11-19H2,1-5H3/t21-,24-,25+,26+,27+,28-/m1/s1
InChIKey MGYIFUBHFPITBP-APAJTHRUSA-N
Molecular Weight 426.685 g/mol
SMILES C=12[C@]3([C@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC3)[H])(C)CC[C@@]2([C@]2(CCC3(CC2=CC1)OCCO3)C)[H])[H]
SPLASH splash10-004i-0002900000-f7748b1c18c794b15215
Source of Spectrum F-47-7065-5
Wiley ID 1380156