| SpectraBase Spectrum ID |
K6Zqz1KVQSj |
| Name |
Dimethyl (1.alpha.,2.beta.,3.alpha.,3a.beta.,6.alpha.,8.alpha.,10a.beta.)-1,2,3,3a,6,7,8,10a-octahydro-2-(phenylthio)-1,3:6,8-ethanediylidenecyclopentacyclononene-4,10-dicarboxylate |
| CAS Registry Number |
113627-86-4 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H24O4S |
| InChI |
InChI=1S/C24H24O4S/c1-27-23(25)14-9-11-8-12-10-15(24(26)28-2)18-17(14)20-19(16(11)12)21(18)22(20)29-13-6-4-3-5-7-13/h3-7,9-12,16-22H,8H2,1-2H3/t11-,12+,16?,17-,18+,19?,20+,21-,22+ |
| InChIKey |
XDVGAWSXNAFFBJ-CAELNCBNSA-N |
| Molecular Weight |
408.512 g/mol |
| SMILES |
C=1([C@]2([C@]3(C(=C[C@]4(C[C@@](C1)(C4C1[C@@]2([C@](Sc2ccccc2)([C@@]31[H])[H])[H])[H])[H])C(=O)OC)[H])[H])C(=O)OC |
| SPLASH |
splash10-0002-3920000000-853362faed0c44891274 |
| Source of Spectrum |
C-110-3271-31 |
| Synonyms |
Dimethyl (1R,4R,6S,7S,8R,11S)-5-(phenylsulfanyl)pentacyclo[5.5.2.0(2,11).0(3,6).0(4,8)]tetradeca-9,13-diene-9,14-dicarboxylate |
| Wiley ID |
1373011 |
