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3,3-(Ethylenedioxy)-5.beta.-cholest-7-en-6-one
SpectraBase Compound ID En4M3hlkvsC
InChI InChI=1S/C29H46O3/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/h17,19-20,22-25H,6-16,18H2,1-5H3/t20-,22-,23+,24+,25+,27-,28-/m1/s1
InChIKey FQEIWJALJDSKBJ-UFESQAOXSA-N
Mol Weight 442.7 g/mol
Molecular Formula C29H46O3
Exact Mass 442.344695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DCiR7q2Actg
Name 3,3-(Ethylenedioxy)-5.beta.-cholest-7-en-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O3
InChI InChI=1S/C29H46O3/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/h17,19-20,22-25H,6-16,18H2,1-5H3/t20-,22-,23+,24+,25+,27-,28-/m1/s1
InChIKey FQEIWJALJDSKBJ-UFESQAOXSA-N
Molecular Weight 442.684 g/mol
SMILES C1=2[C@@]([C@]3(CCC4(C[C@]3(C(C2)=O)[H])OCCO4)C)(CC[C@]2([C@]1(CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H]
SPLASH splash10-0005-7100900000-ef0a963445bd13764cc7
Source of Spectrum F-47-7066-8
Synonyms (1'R,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-8'-one
Wiley ID 1385525