| SpectraBase Spectrum ID |
1nRFYoouu6C |
| Name |
1,2-Cyclohexanedicarboxylic acid, 3-(1-carboxy-6-methylenebicyclo[3.2.1]oct-2-yl)-1,3-dimethyl-, 1-methyl ester, [1R-[1.alpha.,2.beta.(1R*,2S*,3S*),5.beta.]]- |
| Alternate Name(s) |
(1R,2S,3S)-3-[(1S,5R)-1-(methoxycarbonyl)-6-methylenebicyclo[3.2.1]oct-2-yl]-1,3-dimethyl-1,2-cyclohexanedicarboxylic acid
Bicyclo[3.2.1]octane, 1,2-cyclohexanedicarboxylic acid deriv.
ent-6,7-secokaur-16-ene-6,7,19-trioic acid 19-methyl ester |
| CAS Registry Number |
81093-11-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O6 |
| InChI |
InChI=1S/C21H30O6/c1-12-10-21(18(26)27-4)11-13(12)6-7-14(21)19(2)8-5-9-20(3,17(24)25)15(19)16(22)23/h13-15H,1,5-11H2,2-4H3,(H,22,23)(H,24,25)/t13-,14?,15+,19+,20-,21-/m1/s1 |
| InChIKey |
MHCDMLWMOQUNBF-UCZTYYGUSA-N |
| Molecular Weight |
378.465 g/mol |
| SMILES |
OC([C@@]1(CCC[C@]([C@@]1(C(=O)O)[H])(C1[C@]2(CC(=C)[C@@](C2)(CC1)[H])C(=O)OC)C)C)=O |
| SPLASH |
splash10-0059-0109000000-7c23b2b6c65ada8fc98d |
| Source of Spectrum |
KC-1981-3022-0 |
| Wiley ID |
1358792 |
![1,2-Cyclohexanedicarboxylic acid, 3-(1-carboxy-6-methylenebicyclo[3.2.1]oct-2-yl)-1,3-dimethyl-, 1-methyl ester, [1R-[1.alpha.,2.beta.(1R*,2S*,3S*),5.beta.]]-](/api/spectrum/1nRFYoouu6C/structure.png?h=300&w=458 "1,2-Cyclohexanedicarboxylic acid, 3-(1-carboxy-6-methylenebicyclo[3.2.1]oct-2-yl)-1,3-dimethyl-, 1-methyl ester, [1R-[1.alpha.,2.beta.(1R*,2S*,3S*),5.beta.]]-")
