| SpectraBase Spectrum ID |
KhFGotQPdZK |
| Name |
(1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid, (3S,5E)-4,4-dimethyl-6-[(1'R)-(2',2',3'-trimethylcyclopent-3'-en-1'-yl)]hex-5-en-3-yl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H40O4 |
| InChI |
InChI=1S/C26H40O4/c1-10-19(22(3,4)14-13-18-12-11-17(2)23(18,5)6)29-21(28)26-16-15-25(9,20(27)30-26)24(26,7)8/h11,13-14,18-19H,10,12,15-16H2,1-9H3/b14-13+/t18-,19+,25+,26-/m1/s1 |
| InChIKey |
BGSPEVWYMLNIJQ-GNNZPZSFSA-N |
| Molecular Weight |
416.602 g/mol |
| SMILES |
[C@@]12(OC(=O)[C@](C2(C)C)(C)CC1)C(O[C@](C(\C=C\[C@@]1(C(C(C)=CC1)(C)C)[H])(C)C)(CC)[H])=O |
| SPLASH |
splash10-05mo-9300000000-6c2eed7b333d33c83d11 |
| Source of Spectrum |
KC-61-11200-11 |
| Synonyms |
(1S,3E)-1-ethyl-2,2-dimethyl-4-[(1R)-2,2,3-trimethyl-3-cyclopenten-1-yl]-3-butenyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate |
| Wiley ID |
1631234 |
![(1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid, (3S,5E)-4,4-dimethyl-6-[(1'R)-(2',2',3'-trimethylcyclopent-3'-en-1'-yl)]hex-5-en-3-yl ester](/api/spectrum/KhFGotQPdZK/structure.png?h=300&w=458 "(1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid, (3S,5E)-4,4-dimethyl-6-[(1'R)-(2',2',3'-trimethylcyclopent-3'-en-1'-yl)]hex-5-en-3-yl ester")
