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22-hydroxy-23,24-bisnorchol-4-en-3-one

View entire compound with spectra: 1 MS (GC)

22-hydroxy-23,24-bisnorchol-4-en-3-one
SpectraBase Compound ID 73GcWKe4KNy
InChI InChI=1S/C22H34O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h12,14,17-20,23H,4-11,13H2,1-3H3/t14-,17+,18-,19+,20+,21+,22-/m1/s1
InChIKey ZNWOYQVXPIEQRC-HOFZUOGSSA-N
Mol Weight 330.5 g/mol
Molecular Formula C22H34O2
Exact Mass 330.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IX5VChxOumh
Name 22-hydroxy-23,24-bisnorchol-4-en-3-one
Alternate Name(s) (8S,9S,10R,13S,14S,17R)-17-((S)-1-hydroxypropan-2-yl)-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O2
InChI InChI=1S/C22H34O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h12,14,17-20,23H,4-11,13H2,1-3H3/t14-,17+,18-,19+,20+,21+,22-/m1/s1
InChIKey ZNWOYQVXPIEQRC-HOFZUOGSSA-N
Literature Reference DOI 10.1016/j.ymben.2014.05.005
Molecular Weight 330.512 g/mol
SMILES OC[C@]([C@]1(CC[C@]2([C@@]3(CCC4=CC(CC[C@@]4([C@]3(CC[C@]12C)[H])C)=O)[H])[H])[H])(C)[H]
SPLASH splash10-05ir-2962000000-097c7cc5091506e11903
Source of Spectrum Kang Yao, et al. Metabolic Engineering, 10.1016/j.ymben.2014.05.005
Wiley ID 1816458