| SpectraBase Spectrum ID |
40Cct3hryh7 |
| Name |
2-Butenoic acid, 2-methyl-, 7-hydroxy-1,6-dimethyl-9-(1-methylethenyl)-5,12-dioxatricyclo[9.1.0.0(4,6)]dodecane-2,8,10-triyl ester, [1R-[1R*,2S*(Z),4S*,6S,7S*,8S*(Z),9R*,10S*(Z),11R*]]- |
| CAS Registry Number |
64234-04-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H42O9 |
| InChI |
InChI=1S/C30H42O9/c1-11-16(6)26(32)35-19-14-20-29(9,38-20)24(31)22(36-27(33)17(7)12-2)21(15(4)5)23(25-30(19,10)39-25)37-28(34)18(8)13-3/h11-13,19-25,31H,4,14H2,1-3,5-10H3/b16-11-,17-12-,18-13-/t19-,20-,21+,22-,23-,24-,25+,29-,30-/m1/s1 |
| InChIKey |
SBETWCIUWMDSQA-QVBNNKRFSA-N |
| Molecular Weight |
546.657 g/mol |
| SMILES |
O[C@]1([C@]2([C@](O2)(C[C@]([C@@]2([C@@]([C@@]([C@]([C@]1(OC(\C(=C/C)C)=O)[H])(C(=C)C)[H])(OC(\C(=C/C)C)=O)[H])([H])O2)C)(OC(\C(=C/C)C)=O)[H])[H])C)[H] |
| SPLASH |
splash10-001i-9000000000-ad09cd02d3e5423d9d55 |
| Source of Spectrum |
K-110-2648-0 |
| Synonyms |
(1R,2R,4R,6S,7R,8R,9S,10R,11S)-7-hydroxy-9-isopropenyl-1,6-dimethyl-2,10-bis{[(2Z)-2-methyl-2-butenoyl]oxy}-5,12-dioxatricyclo[9.1.0.0(4,6)]dodec-8-yl (2Z)-2-methyl-2-butenoate
5,12-Dioxatricyclo[9.1.0.0(4,6)]dodecane, 2-butenoic acid deriv.
8b-(angeloyloxy)ligularinol |
| Wiley ID |
1405254 |
![2-Butenoic acid, 2-methyl-, 7-hydroxy-1,6-dimethyl-9-(1-methylethenyl)-5,12-dioxatricyclo[9.1.0.0(4,6)]dodecane-2,8,10-triyl ester, [1R-[1R*,2S*(Z),4S*,6S,7S*,8S*(Z),9R*,10S*(Z),11R*]]-](/api/spectrum/40Cct3hryh7/structure.png?h=300&w=458 "2-Butenoic acid, 2-methyl-, 7-hydroxy-1,6-dimethyl-9-(1-methylethenyl)-5,12-dioxatricyclo[9.1.0.0(4,6)]dodecane-2,8,10-triyl ester, [1R-[1R*,2S*(Z),4S*,6S,7S*,8S*(Z),9R*,10S*(Z),11R*]]-")
