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Cholest-6-en-3-ol, formate, (3.beta.,5.beta.)-
SpectraBase Compound ID KMLvP1D9VZy
InChI InChI=1S/C28H46O2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(30-18-29)13-15-27(21,4)26(23)14-16-28(24,25)5/h9-10,18-26H,6-8,11-17H2,1-5H3/t20-,21-,22+,23?,24-,25?,26?,27+,28-/m1/s1
InChIKey CRGXLOJLXSRTIO-OWIUDUBSSA-N
Mol Weight 414.7 g/mol
Molecular Formula C28H46O2
Exact Mass 414.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zuZDJeftd2
Name Cholest-6-en-3-ol, formate, (3.beta.,5.beta.)-
CAS Registry Number 61252-47-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O2
InChI InChI=1S/C28H46O2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(30-18-29)13-15-27(21,4)26(23)14-16-28(24,25)5/h9-10,18-26H,6-8,11-17H2,1-5H3/t20-,21-,22+,23?,24-,25?,26?,27+,28-/m1/s1
InChIKey CRGXLOJLXSRTIO-OWIUDUBSSA-N
Molecular Weight 414.674 g/mol
SMILES [C@@]12(C(C3C=C[C@]4([C@@](C3CC2)(CC[C@](OC=O)(C4)[H])C)[H])CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C
SPLASH splash10-00di-0009200000-220ed7e1033f2b3a70e0
Source of Spectrum B-29-1821-0
Synonyms (3beta,5beta)-cholest-6-en-3-yl formate 5.beta.-cholest-6-en-3.beta.-yl formate
Wiley ID 1375738