| SpectraBase Spectrum ID |
1SYHquqGpD |
| Name |
Naphtho[2,3-C]furan-1(3H)-one, 9-(1,3-benzodioxol-5-yl)-4-(benzoyloxy)-3A,4,9,9A-tetrahydro-6,7-dimethoxy-, (3A.alpha.,4.beta.,9.beta.,9A.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
488.147117725 u |
| Formula |
C28H24O8 |
| InChI |
InChI=1S/C28H24O8/c1-31-21-11-17-18(12-22(21)32-2)26(36-27(29)15-6-4-3-5-7-15)19-13-33-28(30)25(19)24(17)16-8-9-20-23(10-16)35-14-34-20/h3-12,19,24-26H,13-14H2,1-2H3/t19-,24-,25-,26+/m1/s1 |
| InChIKey |
UDCBJIRFYUGZSZ-BBXSYUKCSA-N |
| Molecular Weight |
488.492 g/mol |
| SMILES |
[C@]12([C@](C=3C=C(OC)C(=CC3[C@]([C@@]2(C(=O)OC1)[H])(C=1C=C2OCOC2=CC1)[H])OC)(OC(=O)C=1C=CC=CC1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840033 |
![Naphtho[2,3-c]furan-1(3H)-one, 9-(1,3-benzodioxol-5-yl)-4-(benzoyloxy)-3a,4,9,9a-tetrahydro-6,7-dimethoxy-, (3a.alpha.,4.beta.,9.beta.,9a.beta.)-](/api/spectrum/1SYHquqGpD/structure.png?h=300&w=458 "Naphtho[2,3-c]furan-1(3H)-one, 9-(1,3-benzodioxol-5-yl)-4-(benzoyloxy)-3a,4,9,9a-tetrahydro-6,7-dimethoxy-, (3a.alpha.,4.beta.,9.beta.,9a.beta.)-")
