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Cholestan-4-one, 5-(formyloxy)-, (5.alpha.)-
SpectraBase Compound ID Gn9RGZib3Vc
InChI InChI=1S/C28H46O3/c1-19(2)8-6-9-20(3)22-11-12-23-21-13-17-28(31-18-29)25(30)10-7-15-27(28,5)24(21)14-16-26(22,23)4/h18-24H,6-17H2,1-5H3/t20-,21?,22-,23?,24?,26-,27-,28-/m1/s1
InChIKey YHQZEAVFQIDOEX-SLBXRECSSA-N
Mol Weight 430.7 g/mol
Molecular Formula C28H46O3
Exact Mass 430.344695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvmLbdGf2Xn
Name Cholestan-4-one, 5-(formyloxy)-, (5.alpha.)-
CAS Registry Number 82423-50-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O3
InChI InChI=1S/C28H46O3/c1-19(2)8-6-9-20(3)22-11-12-23-21-13-17-28(31-18-29)25(30)10-7-15-27(28,5)24(21)14-16-26(22,23)4/h18-24H,6-17H2,1-5H3/t20-,21?,22-,23?,24?,26-,27-,28-/m1/s1
InChIKey YHQZEAVFQIDOEX-SLBXRECSSA-N
Molecular Weight 430.673 g/mol
SMILES [C@@]12(C(C3CC[C@@]4([C@@](C3CC2)(CCCC4=O)C)OC=O)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C
SPLASH splash10-001i-0009000000-33755cc82a3a1364195b
Source of Spectrum KC-1982-927-0
Synonyms (5alpha)-4-oxocholestan-5-yl formate 4-Oxo-5.alpha.-cholestan-5-yl formate
Wiley ID 1381767