SpectraBase Spectrum ID |
8z6q1y3ConT |
Name |
(1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.21.1]heptane-1-carboxylic acid, (3R,5E)-4,4-dimethyl-6-[(1'S)-(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-/m0/s1 |
InChIKey |
BGSPEVWYMLNIJQ-FMLWGNRPSA-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 |
splash10-05r0-8900000000-783fc53c195d900c202a |
Source of Spectrum |
KC-61-11200-11 |
Wiley ID |
1631235 |