| SpectraBase Spectrum ID |
3tAM7dIsgNz |
| Name |
Vernodalol, 2ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
476.168247092 u |
| Formula |
C24H28O10 |
| InChI |
InChI=1S/C24H28O10/c1-8-24-9-17(34-21(27)12(2)10-31-15(5)25)18(13(3)22(28)30-7)20(33-16(6)26)19(24)14(4)23(29)32-11-24/h8,17-20H,1-4,9-11H2,5-7H3/t17-,18-,19+,20-,24+/m0/s1 |
| InChIKey |
IFWZLLJYTWRUPC-BPJSAFFHSA-N |
| Molecular Weight |
476.478 g/mol |
| SMILES |
COC(C(=C)[C@@]1([C@@]([C@]2([H])[C@](C=C)(C[C@@]1(OC(=O)C(COC(C)=O)=C)[H])COC(C2=C)=O)(OC(C)=O)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939713 |
