| SpectraBase Spectrum ID |
BUKDjwpFYDg |
| Name |
2,3-Dimethyl-4-[(3-mercaptopropyl)sulfanyl]carbonyl]-2-[(4-methoxybenzyl)oxy]butanoic acid retronecine ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H37NO6S2 |
| InChI |
InChI=1S/C26H37NO6S2/c1-18(15-23(29)35-14-4-13-34)26(2,33-16-19-5-7-21(31-3)8-6-19)25(30)32-17-20-9-11-27-12-10-22(28)24(20)27/h5-9,18,22,24,28,34H,4,10-17H2,1-3H3/t18-,22-,24+,26+/m1/s1 |
| InChIKey |
QMFVMZAZOUXLEN-GJLLIYRVSA-N |
| Molecular Weight |
523.703 g/mol |
| SMILES |
O[C@@]1(CCN2[C@]1(C(COC([C@]([C@@](CC(SCCCS)=O)(C)[H])(OCc1ccc(cc1)OC)C)=O)=CC2)[H])[H] |
| SPLASH |
splash10-00di-0900000000-70c58a1d2296a77769a6 |
| Source of Spectrum |
J-61-1476-8 |
| Synonyms |
(2S,3R)-4-(3-Mercapto-propylsulfanylcarbonyl)-2-(4-methoxy-benzyloxy)-2,3-dimethyl-butyricacid(7R,7aS)-7-hydroxy-5,6,7,7a-tetrahydro-3H-pyrrolizin-1-ylmethyl ester
1-{[(1R)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolo[1,2-a]pyrrol-7-yl]methyl} 5-S-(3-sulfanylpropyl) 3,4-dideoxy-2-O-(4-methoxybenzyl)-3-methyl-2-C-methyl-5-thiopentarate |
| Wiley ID |
1402378 |
![2,3-Dimethyl-4-[(3-mercaptopropyl)sulfanyl]carbonyl]-2-[(4-methoxybenzyl)oxy]butanoic acid retronecine ester](/api/spectrum/BUKDjwpFYDg/structure.png?h=300&w=458 "2,3-Dimethyl-4-[(3-mercaptopropyl)sulfanyl]carbonyl]-2-[(4-methoxybenzyl)oxy]butanoic acid retronecine ester")
