| SpectraBase Spectrum ID |
2get7zIQhsq |
| Name |
(2R,2'R,3R/S)-2-[2'-Hydroxyperoxy-3'-(phenylsulfonyl)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 |
C36H56O5S |
| InChI |
InChI=1S/C36H56O5S/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(40-41-36)23-42(38,39)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 |
JOTLMHPLNPNKRB-KTQOSSRISA-N |
| Molecular Weight |
600.899 g/mol |
| SMILES |
OC12[C@](C[C@@]3([C@@]4([C@@]([C@@]5(CC[C@@]([C@]5(CC4)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@@]3([H])C2)[H])C)(C[C@@](OO1)(CS(=O)(=O)c1ccccc1)[H])[H] |
| SPLASH |
splash10-0002-0009010000-95156e4b58f7a0eb5d9b |
| Source of Spectrum |
J-63-4703-17 |
| Synonyms |
(1R,3aS,3bR,5aS,9R,10aR,11aS,11bS,13aR)-1-[(1R)-1,5-dimethylhexyl]-11a,13a-dimethyl-9-[(phenylsulfonyl)methyl]octadecahydro-6aH-cyclopenta[7,8]phenanthro[2,3-c][1,2]dioxin-6a-ol |
| Wiley ID |
1410162 |
![(2R,2'R,3R/S)-2-[2'-Hydroxyperoxy-3'-(phenylsulfonyl)propyl]-5.alpha.-cholestan-3-one 2',3-peroxyhemiacetal](/api/spectrum/2get7zIQhsq/structure.png?h=300&w=458 "(2R,2'R,3R/S)-2-[2'-Hydroxyperoxy-3'-(phenylsulfonyl)propyl]-5.alpha.-cholestan-3-one 2',3-peroxyhemiacetal")
