| SpectraBase Spectrum ID |
FyvgRothHKd |
| Name |
Sinensol-D;1-(4-hydroxybenzyl)-2-methoxy-4-hydroxy-8-[2'',2''-dimethylpyrano-[5'',6'':7,8]]-dihydrophenathrene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.183109313 u |
| Formula |
C27H26O4 |
| InChI |
InChI=1S/C27H26O4/c1-27(2)13-12-19-18-8-9-21-22(14-16-4-6-17(28)7-5-16)25(30-3)15-23(29)26(21)20(18)10-11-24(19)31-27/h4-7,10-13,15,28-29H,8-9,14H2,1-3H3 |
| InChIKey |
OBAJVJGJCGPZCJ-UHFFFAOYSA-N |
| Molecular Weight |
414.501 g/mol |
| SMILES |
C1(OC)=C(CC2=CC=C(O)C=C2)C2=C(C(=C1)O)C1=CC=C3C(=C1CC2)C=CC(O3)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906444 |
![Sinensol-D;1-(4-hydroxybenzyl)-2-methoxy-4-hydroxy-8-[2'',2''-dimethylpyrano-[5'',6'':7,8]]-dihydrophenathrene](/api/spectrum/FyvgRothHKd/structure.png?h=300&w=458 "Sinensol-D;1-(4-hydroxybenzyl)-2-methoxy-4-hydroxy-8-[2'',2''-dimethylpyrano-[5'',6'':7,8]]-dihydrophenathrene")
