| SpectraBase Spectrum ID |
JGUzjcplFut |
| Name |
Dichamanetin, 5me derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
538.235538809 u |
| Formula |
C34H34O6 |
| InChI |
InChI=1S/C34H34O6/c1-35-27-17-11-9-15-23(27)19-25-32(38-4)26(20-24-16-10-12-18-28(24)36-2)34-31(33(25)39-5)30(37-3)21-29(40-34)22-13-7-6-8-14-22/h6-18,21,29H,19-20H2,1-5H3/t29-/m0/s1 |
| InChIKey |
BRMPHYJNNIHINF-LJAQVGFWSA-N |
| Molecular Weight |
538.640 g/mol |
| SMILES |
C(C1=C(C=CC=C1)OC)C=1C(=C(C(=C2C(=C[C@](OC12)(C1=CC=CC=C1)[H])OC)OC)CC1=CC=CC=C1OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843504 |
