| SpectraBase Spectrum ID |
FLr8EPSFoFf |
| Name |
(2S,5R)-Hydroxyperoxy-3-(phenylthio)-4-nor-3,4-secocholestan-5-one 2,5-peroxyhemiacetal |
| Alternate Name(s) |
(3S,4aR,4bS,6aR,9aS,9bS,11aR)-7-[(1R)-1,5-dimethylhexyl]-4a,6a-dimethyl-3-[(phenylsulfanyl)methyl]tetradecahydro-11aH-cyclopenta[5,6]naphtho[2,1-c][1,2]dioxin-11a-ol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H50O3S |
| InChI |
InChI=1S/C32H50O3S/c1-22(2)10-9-11-23(3)27-14-15-28-26-16-19-32(33)31(5,29(26)17-18-30(27,28)4)20-24(34-35-32)21-36-25-12-7-6-8-13-25/h6-8,12-13,22-24,26-29,33H,9-11,14-21H2,1-5H3/t23-,24+,26+,27?,28+,29+,30-,31-,32-/m1/s1 |
| InChIKey |
FILBBAADQMLVCI-SXKGWNMTSA-N |
| Molecular Weight |
514.809 g/mol |
| SMILES |
O[C@@]12[C@@]([C@@]3([C@]([C@@]4(CCC([C@]4(CC3)C)[C@@](CCCC(C)C)(C)[H])[H])(CC2)[H])[H])(C[C@](OO1)(CSc1ccccc1)[H])C |
| SPLASH |
splash10-00di-0900000000-1ada18f85104d41c8c3f |
| Source of Spectrum |
J-63-4703-23 |
| Wiley ID |
1401194 |
