![D-Erythro-.alpha.-D-galacto-octopyranoside, methyl 6-[[(4-butyl-1-methyl-2-pyrrolidinyl)carbonyl]amino]-6,8-dideoxy-1-thio-, (2S-trans)-](/api/spectrum/DIySI2QNyHK/structure.png?h=300&w=458 "D-Erythro-.alpha.-D-galacto-octopyranoside, methyl 6-[[(4-butyl-1-methyl-2-pyrrolidinyl)carbonyl]amino]-6,8-dideoxy-1-thio-, (2S-trans)-")
| SpectraBase Compound ID | 6qhzZSI5p0x |
|---|---|
| InChI | InChI=1S/C19H36N2O6S/c1-5-6-7-11-8-12(21(3)9-11)18(26)20-13(10(2)22)17-15(24)14(23)16(25)19(27-17)28-4/h10-17,19,22-25H,5-9H2,1-4H3,(H,20,26)/t10-,11-,12+,13-,14+,15-,16-,17-,19-/m1/s1 |
| InChIKey | IECBBPSXOPQNAX-RETOTEICSA-N |
| Mol Weight | 420.6 g/mol |
| Molecular Formula | C19H36N2O6S |
| Exact Mass | 420.229408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DIySI2QNyHK |
|---|---|
| Name | D-Erythro-.alpha.-D-galacto-octopyranoside, methyl 6-[[(4-butyl-1-methyl-2-pyrrolidinyl)carbonyl]amino]-6,8-dideoxy-1-thio-, (2S-trans)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 420.229408055 u |
| Formula | C19H36N2O6S |
| InChI | InChI=1S/C19H36N2O6S/c1-5-6-7-11-8-12(21(3)9-11)18(26)20-13(10(2)22)17-15(24)14(23)16(25)19(27-17)28-4/h10-17,19,22-25H,5-9H2,1-4H3,(H,20,26)/t10-,11-,12+,13-,14+,15-,16-,17-,19-/m1/s1 |
| InChIKey | IECBBPSXOPQNAX-RETOTEICSA-N |
| Molecular Weight | 420.565 g/mol |
| SMILES | [C@]1(O[C@](SC)([C@@]([C@]([C@]1(O)[H])(O)[H])(O)[H])[H])([C@](NC([C@]1(N(C[C@@](C1)(CCCC)[H])C)[H])=O)([C@](O)(C)[H])[H])[H] |