| SpectraBase Spectrum ID |
JvTBbcqypLp |
| Name |
2-Butenoic acid, 2-methyl-, 1,6-dimethyl-9-(1-methylethenyl)-7-oxo-5,12-dioxatricyclo[9.1.0.0(4,6)]dodecane-2,10-diyl ester, [1R-[1R*,2S*(Z),4S*,6R*,9S*,10S*(Z),11R*]]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.230453428 u |
| Formula |
C25H34O7 |
| InChI |
InChI=1S/C25H34O7/c1-9-14(5)22(27)29-18-12-19-24(7,31-19)17(26)11-16(13(3)4)20(21-25(18,8)32-21)30-23(28)15(6)10-2/h9-10,16,18-21H,3,11-12H2,1-2,4-8H3/b14-9-,15-10-/t16-,18-,19-,20-,21+,24-,25+/m0/s1 |
| InChIKey |
LIOYAVZGLXKOHL-MCULUGJSSA-N |
| Molecular Weight |
446.540 g/mol |
| SMILES |
[C@@]12([C@]([C@]([C@@](CC([C@]3([C@@](O3)(C[C@@]1(OC(\C(=C/C)C)=O)[H])[H])C)=O)(C(=C)C)[H])(OC(\C(=C/C)C)=O)[H])([H])O2)C |
![2-Butenoic acid, 2-methyl-, 1,6-dimethyl-9-(1-methylethenyl)-7-oxo-5,12-dioxatricyclo[9.1.0.0(4,6)]dodecane-2,10-diyl ester, [1R-[1R*,2S*(Z),4S*,6R*,9S*,10S*(Z),11R*]]-](/api/spectrum/JvTBbcqypLp/structure.png?h=300&w=458 "2-Butenoic acid, 2-methyl-, 1,6-dimethyl-9-(1-methylethenyl)-7-oxo-5,12-dioxatricyclo[9.1.0.0(4,6)]dodecane-2,10-diyl ester, [1R-[1R*,2S*(Z),4S*,6R*,9S*,10S*(Z),11R*]]-")
