SpectraBase Spectrum ID |
4C3FqAePxxQ |
Name |
Sinensol-A;1-(4-hydroxybenzyl)-2,4-dimethoxy-7-hydroxy-9,10-dihydrophenathrene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
362.151809184 u |
Formula |
C23H22O4 |
InChI |
InChI=1S/C23H22O4/c1-26-21-13-22(27-2)23-18-10-8-17(25)12-15(18)5-9-19(23)20(21)11-14-3-6-16(24)7-4-14/h3-4,6-8,10,12-13,24-25H,5,9,11H2,1-2H3 |
InChIKey |
GNRQSQCPDZCLSO-UHFFFAOYSA-N |
Molecular Weight |
362.425 g/mol |
SMILES |
C1(OC)=C(CC2=CC=C(O)C=C2)C2=C(C(=C1)OC)C1=CC=C(O)C=C1CC2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800833 |