| SpectraBase Spectrum ID |
DlCeKmAb0yV |
| Name |
3a(1H)-Pentalenecarboxylic acid, 3,3'-thiobis[hexahydro-1-methyl-4-oxo-, dimethyl ester |
| CAS Registry Number |
125212-05-7 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H30O6S |
| InChI |
InChI=1S/C22H30O6S/c1-11-9-17(21(19(25)27-3)13(11)5-7-15(21)23)29-18-10-12(2)14-6-8-16(24)22(14,18)20(26)28-4/h11-14,17-18H,5-10H2,1-4H3 |
| InChIKey |
QJPXTARPSFKJMR-UHFFFAOYSA-N |
| Molecular Weight |
422.536 g/mol |
| SMILES |
C12(C(SC3C4(C(CCC4=O)C(C3)C)C(=O)OC)CC(C1CCC2=O)C)C(=O)OC |
| SPLASH |
splash10-03xu-0930000000-65ceadd952c7bab1d664 |
| Source of Spectrum |
B-42-1468-15 |
| Synonyms |
2,2-bis(1-methoxycarbonyl-4-methyl-8-oxobicyclo[3.3.0]octan-2-yl) sulfide
Methyl 3-{[6a-(methoxycarbonyl)-3-methyl-6-oxooctahydro-1-pentalenyl]sulfanyl}-1-methyl-4-oxohexahydro-3a(1H)-pentalenecarboxylate |
| Wiley ID |
1378556 |
