| SpectraBase Spectrum ID |
71UqGGyfHJK |
| Name |
Aztequynol B methyl ester (29-hydroxy-18-methylhentriacontana-2,30-diyn-4-enoic acid methyl ester) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
500.422945660 u |
| Formula |
C33H56O3 |
| InChI |
InChI=1S/C33H56O3/c1-4-32(34)29-25-21-17-14-13-16-20-24-28-31(2)27-23-19-15-11-9-7-5-6-8-10-12-18-22-26-30-33(35)36-3/h1,18,22,31-32,34H,5-17,19-21,23-25,27-29H2,2-3H3/b22-18-/t31?,32-/m0/s1 |
| InChIKey |
UIBDEBULPUNULN-VTGMUTDJSA-N |
| Molecular Weight |
500.808 g/mol |
| SMILES |
C(#C\C=C/CCCCCCCCCCCCC(CCCCCCCCCC[C@](C#C)(O)[H])C)C(=O)OC |
