| SpectraBase Spectrum ID |
2mrhg0jV5BA |
| Name |
(2R,2'S,3R/S)-2-[2'-Hydroxyperoxy-3'-(phenylthio)propyl]-5.alpha.-cholestan-3-one 2',3-peroxyhemiacetal |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H56O3S |
| InChI |
InChI=1S/C36H56O3S/c1-24(2)10-9-11-25(3)31-16-17-32-30-15-14-26-22-36(37)27(21-35(26,5)33(30)18-19-34(31,32)4)20-28(38-39-36)23-40-29-12-7-6-8-13-29/h6-8,12-13,24-28,30-33,37H,9-11,14-23H2,1-5H3/t25-,26+,27+,28+,30+,31-,32+,33+,34-,35+,36?/m1/s1 |
| InChIKey |
FBDJLUJOVXTLTK-FJKUGFBUSA-N |
| Molecular Weight |
568.901 g/mol |
| SMILES |
OC12C[C@]3([C@@]([C@@]4([C@@]([C@@]5(CC[C@@]([C@]5(CC4)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC3)[H])(C[C@@]2(C[C@@](CSc2ccccc2)(OO1)[H])[H])C)[H] |
| SPLASH |
splash10-0a4i-0900000000-0bdfd54b57a89059e48f |
| Source of Spectrum |
J-63-4703-15 |
| Synonyms |
(1R,3aS,3bR,5aS,9S,10aR,11aS,11bS,13aR)-1-[(1R)-1,5-dimethylhexyl]-11a,13a-dimethyl-9-[(phenylsulfanyl)methyl]octadecahydro-6aH-cyclopenta[7,8]phenanthro[2,3-c][1,2]dioxin-6a-ol |
| Wiley ID |
1407571 |
![(2R,2'S,3R/S)-2-[2'-Hydroxyperoxy-3'-(phenylthio)propyl]-5.alpha.-cholestan-3-one 2',3-peroxyhemiacetal](/api/spectrum/2mrhg0jV5BA/structure.png?h=300&w=458 "(2R,2'S,3R/S)-2-[2'-Hydroxyperoxy-3'-(phenylthio)propyl]-5.alpha.-cholestan-3-one 2',3-peroxyhemiacetal")
