| SpectraBase Spectrum ID |
DhcMOhnEpjI |
| Name |
(-)-cyclogalgravin;(7'R,8'S)-3',4',4,5-tetramethoxy-2,7'-cyclolignan-7-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.183109313 u |
| Formula |
C22H26O4 |
| InChI |
InChI=1S/C22H26O4/c1-13-9-16-11-20(25-5)21(26-6)12-17(16)22(14(13)2)15-7-8-18(23-3)19(10-15)24-4/h7-12,14,22H,1-6H3/t14-,22-/m1/s1 |
| InChIKey |
GRJMIMFTPGNXIC-JLCFBVMHSA-N |
| Molecular Weight |
354.446 g/mol |
| SMILES |
C=1(OC)C(=CC2=C(C=C(C)[C@@](C)([C@@]2(C2=CC(=C(C=C2)OC)OC)[H])[H])C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959958 |
