| SpectraBase Spectrum ID |
6PmCNpEW86o |
| Name |
Lupan-3-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.401816293 u |
| Formula |
C30H52O |
| InChI |
InChI=1S/C30H52O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h19-25,31H,9-18H2,1-8H3 |
| InChIKey |
UBLNLUPLUKPSPP-UHFFFAOYSA-N |
| Molecular Weight |
428.745 g/mol |
| SMILES |
CC1(C)C2CCC3(C4(C)CCC5(CCC(C5C4CCC3C2(C)CCC1O)C(C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934515 |
