| SpectraBase Spectrum ID |
4JluiqIGGmH |
| Name |
(5.beta.,8.alpha.,9.beta.,10.alpha.,13.alpha.,16.beta.)-16-Hydroxy-17-((3-methylbutanoyl)oxy)kauran-18-oic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.287574383 u |
| Formula |
C25H40O5 |
| InChI |
InChI=1S/C25H40O5/c1-16(2)12-20(26)30-15-25(29)14-24-11-8-18-22(3,19(24)7-6-17(25)13-24)9-5-10-23(18,4)21(27)28/h16-19,29H,5-15H2,1-4H3,(H,27,28)/t17-,18+,19+,22-,23-,24+,25+/m1/s1 |
| InChIKey |
FIOZUJXSEZUYCS-MTSAZYMTSA-N |
| Molecular Weight |
420.590 g/mol |
| SMILES |
C1C[C@]([C@@]2([C@@](C1)([C@@]1(CC[C@@]3(C[C@@]1(CC2)C[C@@]3(COC(CC(C)C)=O)O)[H])[H])C)[H])(C(O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824493 |
