| SpectraBase Spectrum ID |
5nio1p5ObCW |
| Name |
Methyl 3,29-diacetoxy-olean-12-en-28-oate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
570.392039453 u |
| Formula |
C35H54O6 |
| InChI |
InChI=1S/C35H54O6/c1-22(36)40-21-31(5)16-18-35(29(38)39-9)19-17-33(7)24(25(35)20-31)10-11-27-32(6)14-13-28(41-23(2)37)30(3,4)26(32)12-15-34(27,33)8/h10,25-28H,11-21H2,1-9H3 |
| InChIKey |
KNHDDSKISFOCDT-UHFFFAOYSA-N |
| Molecular Weight |
570.811 g/mol |
| SMILES |
C12(C(C3CC(COC(=O)C)(C)CCC3(CC2)C(=O)OC)=CCC2C3(CCC(C(C3CCC12C)(C)C)OC(=O)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965219 |
