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(24R)-3.beta.-Hydroxy-24-methyl-5.alpha.-cholest-20(22)-en-6,23-dione
SpectraBase Compound ID KxZTKRYwYoR
InChI InChI=1S/C28H44O3/c1-16(2)18(4)25(30)13-17(3)21-7-8-22-20-15-26(31)24-14-19(29)9-11-28(24,6)23(20)10-12-27(21,22)5/h13,16,18-24,29H,7-12,14-15H2,1-6H3/b17-13+/t18-,19+,20+,21-,22+,23+,24-,27-,28-/m1/s1
InChIKey DYJNWHQLHULUFU-RQMHNPJQSA-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 6SSP3QTAtPP
Name (24R)-3.beta.-Hydroxy-24-methyl-5.alpha.-cholest-20(22)-en-6,23-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H44O3
InChI InChI=1S/C28H44O3/c1-16(2)18(4)25(30)13-17(3)21-7-8-22-20-15-26(31)24-14-19(29)9-11-28(24,6)23(20)10-12-27(21,22)5/h13,16,18-24,29H,7-12,14-15H2,1-6H3/b17-13+/t18-,19+,20+,21-,22+,23+,24-,27-,28-/m1/s1
InChIKey DYJNWHQLHULUFU-RQMHNPJQSA-N
Molecular Weight 428.657 g/mol
SMILES O[C@]1(CC[C@@]2([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)(\C(=C\C([C@@](C(C)C)(C)[H])=O)C)[H])[H])([H])CC([C@]2(C1)[H])=O)[H])C)[H]
SPLASH splash10-0a4i-0009300000-ad17ba2ec039a22af13f
Source of Spectrum F-53-17052-18
Synonyms (3beta,5alpha,20E)-3-hydroxyergost-20(22)-ene-6,23-dione
Wiley ID 804718