| SpectraBase Spectrum ID |
1ZzL1UukPEx |
| Name |
Kaur-16-ene-3,13,18-triol, cyclic 3,18-(ethylidene acetal), (3.alpha.,4.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.250794952 u |
| Formula |
C22H34O3 |
| InChI |
InChI=1S/C22H34O3/c1-15-12-21-8-4-16-19(2,17(21)5-9-22(15,23)13-21)7-6-18-20(16,3)14-24-10-11-25-18/h16-18,23H,1,4-14H2,2-3H3/t16?,17?,18-,19-,20-,21+,22?/m0/s1 |
| InChIKey |
OZPBGWBOBBLHML-RNRGYLGFSA-N |
| Molecular Weight |
346.511 g/mol |
| SMILES |
[C@@]12(C([C@@]3(COCCO[C@]3(CC2)[H])C)CC[C@@]23C1CCC(O)(C3)C(C2)=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919763 |
