| SpectraBase Spectrum ID |
XWBs5T8FYx |
| Name |
(3R,4R)-3-[(4-Keto-1-methoxy-cyclohexa-2,5-dien-1-yl)methyl]-4-veratryl-tetrahydrofuran-2-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.157288487 u |
| Formula |
C21H24O6 |
| InChI |
InChI=1S/C21H24O6/c1-24-18-5-4-14(11-19(18)25-2)10-15-13-27-20(23)17(15)12-21(26-3)8-6-16(22)7-9-21/h4-9,11,15,17H,10,12-13H2,1-3H3/t15-,17+/m0/s1 |
| InChIKey |
QOOWFMOCBNIGIF-DOTOQJQBSA-N |
| Molecular Weight |
372.417 g/mol |
| SMILES |
C1([C@@]([C@@](CC2=CC(OC)=C(C=C2)OC)(CO1)[H])(CC1(C=CC(C=C1)=O)OC)[H])=O |
![(3R,4R)-3-[(4-keto-1-methoxy-cyclohexa-2,5-dien-1-yl)methyl]-4-veratryl-tetrahydrofuran-2-one](/api/spectrum/XWBs5T8FYx/structure.png?h=300&w=458 "(3R,4R)-3-[(4-keto-1-methoxy-cyclohexa-2,5-dien-1-yl)methyl]-4-veratryl-tetrahydrofuran-2-one")
