| SpectraBase Spectrum ID |
9VXd81mzD2H |
| Name |
Trans-2-(4''-benzyloxy-3''-methoxybenzyl)-3-(3',4'-dimethoxy-.alpha.,.alpha.-bis[phenylthio]benzyl)butyrolactone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
678.210981286 u |
| Formula |
C40H38O6S2 |
| InChI |
InChI=1S/C40H38O6S2/c1-42-35-22-20-30(25-38(35)44-3)40(47-31-15-9-5-10-16-31,48-32-17-11-6-12-18-32)34-27-46-39(41)33(34)23-29-19-21-36(37(24-29)43-2)45-26-28-13-7-4-8-14-28/h4-22,24-25,33-34H,23,26-27H2,1-3H3/t33-,34+/m1/s1 |
| InChIKey |
YXOBWOHZBFHLGP-NOCHOARKSA-N |
| Molecular Weight |
678.858 g/mol |
| SMILES |
C([C@@]1([C@](C(=O)OC1)(CC=1C=C(OC)C(=CC1)OCC=1C=CC=CC1)[H])[H])(C=1C=C(OC)C(=CC1)OC)(SC1=CC=CC=C1)SC1=CC=CC=C1 |
![Trans-2-(4''-benzyloxy-3''-methoxybenzyl)-3-(3',4'-dimethoxy-.alpha.,.alpha.-bis[phenylthio]benzyl)butyrolactone](/api/spectrum/9VXd81mzD2H/structure.png?h=300&w=458 "Trans-2-(4''-benzyloxy-3''-methoxybenzyl)-3-(3',4'-dimethoxy-.alpha.,.alpha.-bis[phenylthio]benzyl)butyrolactone")
