| SpectraBase Spectrum ID |
1PlzuDxW9kV |
| Name |
Tetradecanoic acid, (3,3A,4,6A,7,8,9,10,10A,10B-decahydro-3A,10A-dihydroxy-2,10-dimethyl-3,8-dioxobenz[E]azulen-5-yl)methyl ester, [3ar-(3A.alpha.,6A.alpha.,10.beta.,10A.beta.,10B.beta.)]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
516.345089260 u |
| Formula |
C31H48O6 |
| InChI |
InChI=1S/C31H48O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-28(33)37-21-24-18-25-19-26(32)17-23(3)31(25,36)27-16-22(2)29(34)30(27,35)20-24/h16,18,23,25,27,35-36H,4-15,17,19-21H2,1-3H3 |
| InChIKey |
PFQLEVVCSYMIRX-UHFFFAOYSA-N |
| Molecular Weight |
516.719 g/mol |
| SMILES |
C1(CC(C2(C(C1)C=C(COC(=O)CCCCCCCCCCCCC)CC1(C2C=C(C1=O)C)O)O)C)=O |
![Tetradecanoic acid, (3,3a,4,6a,7,8,9,10,10a,10b-decahydro-3a,10a-dihydroxy-2,10-dimethyl-3,8-dioxobenz[e]azulen-5-yl)methyl ester, [3aR-(3a.alpha.,6a.alpha.,10.beta.,10a.beta.,10b.beta.)]-](/api/spectrum/1PlzuDxW9kV/structure.png?h=300&w=458 "Tetradecanoic acid, (3,3a,4,6a,7,8,9,10,10a,10b-decahydro-3a,10a-dihydroxy-2,10-dimethyl-3,8-dioxobenz[e]azulen-5-yl)methyl ester, [3aR-(3a.alpha.,6a.alpha.,10.beta.,10a.beta.,10b.beta.)]-")
