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Cholest-7-en-6-one, 3-(formyloxy)-, (3.alpha.,5.alpha.)-
SpectraBase Compound ID LUWIMNnhdRY
InChI InChI=1S/C28H44O3/c1-18(2)7-6-8-19(3)22-9-10-23-21-16-26(30)25-15-20(31-17-29)11-13-28(25,5)24(21)12-14-27(22,23)4/h16-20,22-25H,6-15H2,1-5H3/t19-,20-,22-,23?,24?,25-,27-,28-/m1/s1
InChIKey BDGNSJKKGPXLSY-OLLNWVSASA-N
Mol Weight 428.7 g/mol
Molecular Formula C28H44O3
Exact Mass 428.329045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DsDNpujSwVb
Name Cholest-7-en-6-one, 3-(formyloxy)-, (3.alpha.,5.alpha.)-
CAS Registry Number 81594-23-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H44O3
InChI InChI=1S/C28H44O3/c1-18(2)7-6-8-19(3)22-9-10-23-21-16-26(30)25-15-20(31-17-29)11-13-28(25,5)24(21)12-14-27(22,23)4/h16-20,22-25H,6-15H2,1-5H3/t19-,20-,22-,23?,24?,25-,27-,28-/m1/s1
InChIKey BDGNSJKKGPXLSY-OLLNWVSASA-N
Molecular Weight 428.657 g/mol
SMILES C1=2C([C@]3(CC[C@](C[C@@]3(C(C2)=O)[H])(OC=O)[H])C)CC[C@]2(C1CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])C
SPLASH splash10-0059-0047900000-81541c6c4a0cac1ff9c3
Source of Spectrum B-34-2612-0
Synonyms (3alpha,5alpha)-6-oxocholest-7-en-3-yl formate 6-Oxo-5.alpha.-cholest-7-en-3.alpha.-yl formate
Wiley ID 1380884