| SpectraBase Spectrum ID |
2gd8Fd1t6Zh |
| Name |
Olean-12-en-1-one, 3-hydroxy-, (3.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.365430784 u |
| Formula |
C30H48O2 |
| InChI |
InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-28(6)19(20(27)18-25)9-10-22-29(28,7)12-11-21-26(3,4)23(31)17-24(32)30(21,22)8/h9,20-23,31H,10-18H2,1-8H3 |
| InChIKey |
LZPGYZAPTONPJS-UHFFFAOYSA-N |
| Molecular Weight |
440.712 g/mol |
| SMILES |
C1C(CC2C(C1)(CCC1(C2=CCC2C1(CCC1C2(C(CC(C1(C)C)O)=O)C)C)C)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936229 |
