| SpectraBase Spectrum ID |
KGqfWGFS7fL |
| Name |
N-Hexetriacont-9,26-dien-8-.alpha.,11-.beta.,23-.alpha.-triol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
480.454245789 u |
| Formula |
C31H60O3 |
| InChI |
InChI=1S/C31H60O3/c1-3-5-7-9-16-20-23-29(32)24-21-17-13-11-10-12-14-18-22-26-31(34)28-27-30(33)25-19-15-8-6-4-2/h9,16,27-34H,3-8,10-15,17-26H2,1-2H3/b16-9+,28-27+/t29-,30-,31+/m0/s1 |
| InChIKey |
DJQTYRKUSYRJLW-FFQJURTGSA-N |
| Molecular Weight |
480.818 g/mol |
| SMILES |
CCCC\C=C\CC[C@@](CCCCCCCCCCC[C@](\C=C\[C@](CCCCCCC)(O)[H])(O)[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911432 |
