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3,3-(Ethylenedioxy)-5.alpha.-cholest-7-en-6.alpha.-ol
SpectraBase Compound ID LMghCPTEREA
InChI InChI=1S/C29H48O3/c1-19(2)7-6-8-20(3)22-9-10-23-21-17-26(30)25-18-29(31-15-16-32-29)14-13-28(25,5)24(21)11-12-27(22,23)4/h17,19-20,22-26,30H,6-16,18H2,1-5H3/t20-,22-,23+,24+,25-,26+,27-,28-/m1/s1
InChIKey TUTOQYHORCGGPF-FFQRLCCUSA-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 BrutNzTsWCT
Name 3,3-(Ethylenedioxy)-5.alpha.-cholest-7-en-6.alpha.-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O3
InChI InChI=1S/C29H48O3/c1-19(2)7-6-8-20(3)22-9-10-23-21-17-26(30)25-18-29(31-15-16-32-29)14-13-28(25,5)24(21)11-12-27(22,23)4/h17,19-20,22-26,30H,6-16,18H2,1-5H3/t20-,22-,23+,24+,25-,26+,27-,28-/m1/s1
InChIKey TUTOQYHORCGGPF-FFQRLCCUSA-N
Molecular Weight 444.700 g/mol
SMILES O[C@@]1([C@]2(CC3(OCCO3)CC[C@@]2([C@@]2(C([C@]3([C@@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC3)[H])(CC2)C)[H])=C1)[H])C)[H])[H]
SPLASH splash10-0007-3001900000-fe2eb6fd6ae9b35121be
Source of Spectrum F-47-7065-7
Synonyms (1'R,2'R,7'S,8'S,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-8'-ol 3,3-(Ethylenedioxy)-5.alpha.-cholesta-7-en-6.alpha.-ol
Wiley ID 1386187