| SpectraBase Spectrum ID |
7dR6dnbZGBW |
| Name |
Sinensol-F;1,6-di-(4-hydroxybenzyl)-2-methoxy-4,7-dihydroxy-8-isopentyl-9,10-dihydrophenantrene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
522.240624190 u |
| Formula |
C34H34O5 |
| InChI |
InChI=1S/C34H34O5/c1-20(2)4-13-28-26-14-15-27-29(17-22-7-11-25(36)12-8-22)32(39-3)19-31(37)33(27)30(26)18-23(34(28)38)16-21-5-9-24(35)10-6-21/h4-12,18-19,35-38H,13-17H2,1-3H3 |
| InChIKey |
RLRFDQCBCXUXFC-UHFFFAOYSA-N |
| Molecular Weight |
522.641 g/mol |
| SMILES |
C1(OC)=C(CC2=CC=C(O)C=C2)C2=C(C(=C1)O)C1=CC(=C(O)C(=C1CC2)CC=C(C)C)CC1=CC=C(O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809314 |
