| SpectraBase Spectrum ID |
KxC03R90mfn |
| Name |
(3S*,4R*)-3-Hydroxy-3-(3,4-methylenedioxybenzyl)-4-[.alpha.(S*)-.alpha.-acetoxy-3,4-dimethoxybenzyl]-.gamma.-butyrolactone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H24O9 |
| InChI |
InChI=1S/C23H24O9/c1-13(24)31-21(15-5-7-16(27-2)18(9-15)28-3)22-23(26,11-20(25)32-22)10-14-4-6-17-19(8-14)30-12-29-17/h4-9,21-22,26H,10-12H2,1-3H3/t21-,22+,23-/m0/s1 |
| InChIKey |
IPGWBXWWANWUKH-ZRBLBEILSA-N |
| Molecular Weight |
444.436 g/mol |
| SMILES |
O[C@@]1([C@@]([C@](c2cc(c(OC)cc2)OC)(OC(=O)C)[H])(OC(C1)=O)[H])Cc1cc2c(OCO2)cc1 |
| SPLASH |
splash10-004i-0000900000-79adab110848e5c1c474 |
| Source of Spectrum |
PS-0-2750-3 |
| Wiley ID |
786845 |
![(3S*,4R*)-3-Hydroxy-3-(3,4-methylenedioxybenzyl)-4-[.alpha.(S*)-.alpha.-acetoxy-3,4-dimethoxybenzyl]-.gamma.-butyrolactone](/api/spectrum/KxC03R90mfn/structure.png?h=300&w=458 "(3S*,4R*)-3-Hydroxy-3-(3,4-methylenedioxybenzyl)-4-[.alpha.(S*)-.alpha.-acetoxy-3,4-dimethoxybenzyl]-.gamma.-butyrolactone")
