![D-Erythro-.alpha.-D-galacto-octopyranoside, methyl 6-[[(4-butyl-1-ethyl-2-pyrrolidinyl)carbonyl]amino]-6,8-dideoxy-1-thio-, (2S-trans)-](/api/spectrum/DjInwyzGAnT/structure.png?h=300&w=458 "D-Erythro-.alpha.-D-galacto-octopyranoside, methyl 6-[[(4-butyl-1-ethyl-2-pyrrolidinyl)carbonyl]amino]-6,8-dideoxy-1-thio-, (2S-trans)-")
| SpectraBase Compound ID | LnPFNXUXb14 |
|---|---|
| InChI | InChI=1S/C20H38N2O6S/c1-5-7-8-12-9-13(22(6-2)10-12)19(27)21-14(11(3)23)18-16(25)15(24)17(26)20(28-18)29-4/h11-18,20,23-26H,5-10H2,1-4H3,(H,21,27)/t11?,12-,13+,14+,15+,16-,17-,18?,20?/m1/s1 |
| InChIKey | BPVOWQVQKNAFIF-WFKQYXHLSA-N |
| Mol Weight | 434.6 g/mol |
| Molecular Formula | C20H38N2O6S |
| Exact Mass | 434.245058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DjInwyzGAnT |
|---|---|
| Name | D-Erythro-.alpha.-D-galacto-octopyranoside, methyl 6-[[(4-butyl-1-ethyl-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 | 434.245058120 u |
| Formula | C20H38N2O6S |
| InChI | InChI=1S/C20H38N2O6S/c1-5-7-8-12-9-13(22(6-2)10-12)19(27)21-14(11(3)23)18-16(25)15(24)17(26)20(28-18)29-4/h11-18,20,23-26H,5-10H2,1-4H3,(H,21,27)/t11?,12-,13+,14+,15+,16-,17-,18?,20?/m1/s1 |
| InChIKey | BPVOWQVQKNAFIF-WFKQYXHLSA-N |
| Molecular Weight | 434.592 g/mol |
| SMILES | C1(OC(SC)[C@@]([C@]([C@]1(O)[H])(O)[H])(O)[H])[C@@](NC([C@]1(N(C[C@@](C1)(CCCC)[H])CC)[H])=O)(C(O)C)[H] |