| SpectraBase Spectrum ID |
Il1V17bZ5zd |
| Name |
2,3-Dimethyl-4-(1,3-dithianylidene)-2-[(4-methoxybenzyl)oxy]butanoic acid retronecine ester |
| Alternate Name(s) |
[(1R,7aR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl 4-(1,3-dithian-2-ylidene)-2-[(4-methoxyphenyl)methoxy]-2,3-dimethylbutanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H35NO5S2 |
| InChI |
InChI=1S/C26H35NO5S2/c1-18(15-23-33-13-4-14-34-23)26(2,32-16-19-5-7-21(30-3)8-6-19)25(29)31-17-20-9-11-27-12-10-22(28)24(20)27/h5-9,15,18,22,24,28H,4,10-14,16-17H2,1-3H3/t18?,22-,24-,26?/m1/s1 |
| InChIKey |
RKCDMWYJMSCABJ-HXBWMRNRSA-N |
| Molecular Weight |
505.688 g/mol |
| SMILES |
O[C@@]1(CCN2[C@@]1(C(COC(C(C(C=C1SCCCS1)C)(OCc1ccc(cc1)OC)C)=O)=CC2)[H])[H] |
| SPLASH |
splash10-0a4i-0900000000-0c5c464645856240d45e |
| Source of Spectrum |
J-61-1476-7 |
| Wiley ID |
1399700 |
![2,3-Dimethyl-4-(1,3-dithianylidene)-2-[(4-methoxybenzyl)oxy]butanoic acid retronecine ester](/api/spectrum/Il1V17bZ5zd/structure.png?h=300&w=458 "2,3-Dimethyl-4-(1,3-dithianylidene)-2-[(4-methoxybenzyl)oxy]butanoic acid retronecine ester")
