![(+-)-(2R,3R)-2-[3-Benzyloxy-4-(3-hydroxypropyl)benzyl]-3-(3'-benzyloxybenzyl)butyrolactone](/api/spectrum/DSoR8AxYAMh/structure.png?h=300&w=458 "(+-)-(2R,3R)-2-[3-Benzyloxy-4-(3-hydroxypropyl)benzyl]-3-(3'-benzyloxybenzyl)butyrolactone")
| SpectraBase Compound ID | Fkn8U4aSaAs |
|---|---|
| InChI | InChI=1S/C35H36O5/c36-18-8-14-30-17-16-29(22-34(30)39-24-27-11-5-2-6-12-27)21-33-31(25-40-35(33)37)19-28-13-7-15-32(20-28)38-23-26-9-3-1-4-10-26/h1-7,9-13,15-17,20,22,31,33,36H,8,14,18-19,21,23-25H2/t31-,33+/m0/s1 |
| InChIKey | JVUYPJIBMIBSKY-CQTOTRCISA-N |
| Mol Weight | 536.7 g/mol |
| Molecular Formula | C35H36O5 |
| Exact Mass | 536.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DSoR8AxYAMh |
|---|---|
| Name | (+-)-(2R,3R)-(+-)-2-[3-benzyloxy-4-(3-hydroxypropyl)benzyl]-3-(3'-benzyloxybenzyl)butyrolactone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 536.256274254 u |
| Formula | C35H36O5 |
| InChI | InChI=1S/C35H36O5/c36-18-8-14-30-17-16-29(22-34(30)39-24-27-11-5-2-6-12-27)21-33-31(25-40-35(33)37)19-28-13-7-15-32(20-28)38-23-26-9-3-1-4-10-26/h1-7,9-13,15-17,20,22,31,33,36H,8,14,18-19,21,23-25H2/t31-,33+/m0/s1 |
| InChIKey | JVUYPJIBMIBSKY-CQTOTRCISA-N |
| Molecular Weight | 536.668 g/mol |
| SMILES | C1([C@@]([C@@](CC2=CC(OCC=3C=CC=CC3)=CC=C2)(CO1)[H])(CC=1C=C(OCC2=CC=CC=C2)C(=CC1)CCCO)[H])=O |