| SpectraBase Spectrum ID |
HoLd0dVnHE |
| Name |
2-[3-[4-[1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, heptamethyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
638.330227038 u |
| Formula |
C33H50O12 |
| InChI |
InChI=1S/C33H50O12/c1-34-19-27(29(39-6)22-13-15-23(36-3)26(18-22)38-5)44-24-14-12-21(17-25(24)37-4)11-10-16-43-33-32(42-9)31(41-8)30(40-7)28(45-33)20-35-2/h12-15,17-18,27-33H,10-11,16,19-20H2,1-9H3 |
| InChIKey |
ADXIVHOWDWLSMO-UHFFFAOYSA-N |
| Molecular Weight |
638.751 g/mol |
| SMILES |
C1(OC(C(C(C1OC)OC)OC)COC)OCCCC1=CC(=C(C=C1)OC(C(C1=CC(=C(C=C1)OC)OC)OC)COC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947075 |
![2-[3-[4-[1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, heptamethyl ether](/api/spectrum/HoLd0dVnHE/structure.png?h=300&w=458 "2-[3-[4-[1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, heptamethyl ether")
