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(22R,23R)-3.beta.-Acetoxy-24-methyl-22,23-epoxy-5.alpha.-cholestan-6-one
SpectraBase Compound ID HHYgnKHRzoM
InChI InChI=1S/C30H48O4/c1-16(2)17(3)27-28(34-27)18(4)22-8-9-23-21-15-26(32)25-14-20(33-19(5)31)10-12-30(25,7)24(21)11-13-29(22,23)6/h16-18,20-25,27-28H,8-15H2,1-7H3/t17-,18+,20+,21+,22?,23+,24+,25-,27-,28-,29-,30-/m1/s1
InChIKey ZZFCGFNMVMRHGF-GHSRUJJJSA-N
Mol Weight 472.7 g/mol
Molecular Formula C30H48O4
Exact Mass 472.35526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40u1V7DCgRq
Name (22R,23R)-3.beta.-Acetoxy-24-methyl-22,23-epoxy-5.alpha.-cholestan-6-one
Alternate Name(s) (3beta,5alpha,20S)-20-[(2R,3R)-3-(1,2-dimethylpropyl)oxiranyl]-6-oxopregnan-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O4
InChI InChI=1S/C30H48O4/c1-16(2)17(3)27-28(34-27)18(4)22-8-9-23-21-15-26(32)25-14-20(33-19(5)31)10-12-30(25,7)24(21)11-13-29(22,23)6/h16-18,20-25,27-28H,8-15H2,1-7H3/t17-,18+,20+,21+,22?,23+,24+,25-,27-,28-,29-,30-/m1/s1
InChIKey ZZFCGFNMVMRHGF-GHSRUJJJSA-N
Molecular Weight 472.710 g/mol
SMILES [C@@]1([C@@]([C@@](C(C)C)(C)[H])(O1)[H])([C@](C1[C@@]2([C@@]([C@@]3(CC(=O)[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])([H])CC1)C)(C)[H])[H]
SPLASH splash10-0udi-0000900000-d5a08597e5b47cbf773f
Source of Spectrum F-53-17049-6
Wiley ID 804729