| SpectraBase Spectrum ID |
7SuBGdMn84t |
| Name |
Olean-12-en-28-oic acid, 3-(acetyloxy)-, methyl ester, (3.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
512.386560150 u |
| Formula |
C33H52O4 |
| InChI |
InChI=1S/C33H52O4/c1-21(34)37-26-13-14-30(6)24(29(26,4)5)12-15-32(8)25(30)11-10-22-23-20-28(2,3)16-18-33(23,27(35)36-9)19-17-31(22,32)7/h10,23-26H,11-20H2,1-9H3 |
| InChIKey |
VTZCFEUQVQTSSV-UHFFFAOYSA-N |
| Molecular Weight |
512.775 g/mol |
| SMILES |
C(OC)(=O)C12C(C=3C(CC2)(C)C2(C)C(CC3)C3(C)C(CC2)C(C)(C)C(CC3)OC(C)=O)CC(CC1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883636 |
