| SpectraBase Spectrum ID |
7MXQfVIadYz |
| Name |
(2S,2'R)-3.alpha.-Methoxy-2-[2'-Hydroxyperoxy-3'-(phenylsulfonyl)propyl]-5.alpha.-cholestan-3-one 2',3-peroxyhemiacetal |
| Alternate Name(s) |
(1R,3aS,3bR,5aS,6aR,9R,10aS,11aS,11bS,13aR)-1-[(1R)-1,5-dimethylhexyl]-6a-methoxy-11a,13a-dimethyl-9-[(phenylsulfonyl)methyl]octadecahydro-1H-cyclopenta[7,8]phenanthro[2,3-c][1,2]dioxin
{(1R,3aS,3bR,5aS,6aR,9R,10aS,11aS,11bS,13aR)-1-[(1R)-1,5-dimethylhexyl]-6a-methoxy-11a,13a-dimethyloctadecahydro-1H-cyclopenta[7,8]phenanthro[2,3-c][1,2]dioxin-9-yl}methyl phenyl sulfone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C37H58O5S |
| InChI |
InChI=1S/C37H58O5S/c1-25(2)11-10-12-26(3)32-17-18-33-31-16-15-27-23-37(40-6)28(22-36(27,5)34(31)19-20-35(32,33)4)21-29(41-42-37)24-43(38,39)30-13-8-7-9-14-30/h7-9,13-14,25-29,31-34H,10-12,15-24H2,1-6H3/t26-,27+,28-,29-,31+,32-,33+,34+,35-,36+,37-/m1/s1 |
| InChIKey |
GLQODLZAIYCHBB-QPYADNFMSA-N |
| Molecular Weight |
614.926 g/mol |
| SMILES |
C(S(=O)(=O)c1ccccc1)[C@@]1(OO[C@]2([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)(C1)[H])OC)[H] |
| SPLASH |
splash10-000i-0009000000-6401215b493996ed6d4f |
| Source of Spectrum |
J-63-4704-30 |
| Wiley ID |
1411223 |
![(2S,2'R)-3.alpha.-Methoxy-2-[2'-Hydroxyperoxy-3'-(phenylsulfonyl)propyl]-5.alpha.-cholestan-3-one 2',3-peroxyhemiacetal](/api/spectrum/7MXQfVIadYz/structure.png?h=300&w=458 "(2S,2'R)-3.alpha.-Methoxy-2-[2'-Hydroxyperoxy-3'-(phenylsulfonyl)propyl]-5.alpha.-cholestan-3-one 2',3-peroxyhemiacetal")
