| SpectraBase Spectrum ID |
BESvQaG1C9L |
| Name |
2-Butenoic acid, 2-methyl-, 2,6,6,9-tetramethyl-4-(2-methyl-1-oxobutoxy)-11-oxotricyclo[5.4.0.0(2,8)]undec-9-en-3-yl ester |
| CAS Registry Number |
65526-69-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H36O5 |
| InChI |
InChI=1S/C25H36O5/c1-9-13(3)22(27)29-17-12-24(6,7)20-18-15(5)11-16(26)19(20)25(18,8)21(17)30-23(28)14(4)10-2/h10-11,13,17-21H,9,12H2,1-8H3/b14-10+/t13?,17?,18-,19+,20-,21?,25+/m1/s1 |
| InChIKey |
IEBAHBJTIXVRJM-HUQZJJIUSA-N |
| Molecular Weight |
416.558 g/mol |
| SMILES |
[C@]12([C@@]3(C(C)=CC([C@]2([C@@]3(C(C)(C)CC(C1OC(\C(=C\C)C)=O)OC(=O)C(CC)C)[H])[H])=O)[H])C |
| SPLASH |
splash10-001i-9000000000-f32d5ddcd08fa292fba1 |
| Source of Spectrum |
K-110-3581-0 |
| Synonyms |
Tricyclo[5.4.0.0(2,8)]undecane, 2-butenoic acid deriv.
2,6,6,9-tetramethyl-4-[(2-methylbutanoyl)oxy]-11-oxotricyclo[5.4.0.0(2,8)]undec-9-en-3-yl (2E)-2-methyl-2-butenoate
8.alpha.-angeloyloxy-bzw-(2-methylbutyryloxy)-9.beta.-angloxy-1-oxo-.alpha.-longipinene |
| Wiley ID |
1376489 |
![2-Butenoic acid, 2-methyl-, 2,6,6,9-tetramethyl-4-(2-methyl-1-oxobutoxy)-11-oxotricyclo[5.4.0.0(2,8)]undec-9-en-3-yl ester](/api/spectrum/BESvQaG1C9L/structure.png?h=300&w=458 "2-Butenoic acid, 2-methyl-, 2,6,6,9-tetramethyl-4-(2-methyl-1-oxobutoxy)-11-oxotricyclo[5.4.0.0(2,8)]undec-9-en-3-yl ester")
