| SpectraBase Spectrum ID |
ItQaa4G81r5 |
| Name |
4'-Demethyl-desoxy-picropodophyllotoxin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.120902977 u |
| Formula |
C21H20O7 |
| InChI |
InChI=1S/C21H20O7/c1-24-16-5-11(6-17(25-2)20(16)22)18-13-7-15-14(27-9-28-15)4-10(13)3-12-8-26-21(23)19(12)18/h4-7,12,18-19,22H,3,8-9H2,1-2H3/t12-,18+,19+/m0/s1 |
| InChIKey |
RFDMNXDDRXVJTM-GESALYCCSA-N |
| Molecular Weight |
384.384 g/mol |
| SMILES |
C1(OC[C@@]2(CC=3C([C@]([C@]12[H])(C1=CC(=C(C(=C1)OC)O)OC)[H])=CC1=C(C3)OCO1)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89288 |
