| SpectraBase Spectrum ID |
BMANK9okSyX |
| Name |
13-Benzoyl-12,19-dimethoxypodocarpa-8,11,13-trien-14-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.230059506 u |
| Formula |
C26H32O4 |
| InChI |
InChI=1S/C26H32O4/c1-25(16-29-3)13-8-14-26(2)19-15-20(30-4)22(23(27)17-9-6-5-7-10-17)24(28)18(19)11-12-21(25)26/h5-7,9-10,15,21,28H,8,11-14,16H2,1-4H3/t21?,25-,26+/m0/s1 |
| InChIKey |
DKNIEEFQUFVMTN-PBTPRMJDSA-N |
| Molecular Weight |
408.538 g/mol |
| SMILES |
C1(=C(C=2CCC3[C@@](C2C=C1OC)(CCC[C@]3(COC)C)C)O)C(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894594 |
