| SpectraBase Spectrum ID |
4M2KSHZ3dua |
| Name |
1,2-Cyclohexanedicarboxylic acid, 3-(1-formyl-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) |
(1S,2S,6R)-2-[(5S)-1-formyl-6-methylenebicyclo[3.2.1]oct-2-yl]-6-(methoxycarbonyl)-2,6-dimethylcyclohexanecarboxylic acid
Bicyclo[3.2.1]octane, 1,2-cyclohexanedicarboxylic acid deriv.
ent-7-oxo-6,7-secokaur-16-ene-6,19-dioic acid 19-methyl ester |
| CAS Registry Number |
81093-09-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O5 |
| InChI |
InChI=1S/C21H30O5/c1-13-10-21(12-22)11-14(13)6-7-15(21)19(2)8-5-9-20(3,18(25)26-4)16(19)17(23)24/h12,14-16H,1,5-11H2,2-4H3,(H,23,24)/t14-,15?,16-,19-,20+,21?/m0/s1 |
| InChIKey |
VXYJYFQVFYSJAN-VGWDMQSVSA-N |
| Molecular Weight |
362.466 g/mol |
| SMILES |
OC([C@]1([C@](C2C3(CC(=C)[C@](CC2)([H])C3)C=O)(CCC[C@]1(C(=O)OC)C)C)[H])=O |
| SPLASH |
splash10-00lr-0319000000-8fc2e610502c2ecbf34b |
| Source of Spectrum |
KC-1981-3022-0 |
| Wiley ID |
1349732 |
![1,2-Cyclohexanedicarboxylic acid, 3-(1-formyl-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/4M2KSHZ3dua/structure.png?h=300&w=458 "1,2-Cyclohexanedicarboxylic acid, 3-(1-formyl-6-methylenebicyclo[3.2.1]oct-2-yl)-1,3-dimethyl-, 1-methyl ester, [1R-[1.alpha.,2.beta.(1R*,2S*,3S*),5.beta.]]-")
