![.alpha.-D-Mannopyranoside, 4-[2,3-dihydro-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-hydroxy-2-benzofuranyl]-2-methoxyphenyl 6-deoxy-, 6me derivative](/api/spectrum/A8Ob0OJffR4/structure.png?h=300&w=458 ".alpha.-D-Mannopyranoside, 4-[2,3-dihydro-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-hydroxy-2-benzofuranyl]-2-methoxyphenyl 6-deoxy-, 6me derivative")
| SpectraBase Compound ID | HPHK4z8WNxO |
|---|---|
| InChI | InChI=1S/C31H44O10/c1-18-26(36-6)29(37-7)30(38-8)31(39-18)40-23-12-11-20(16-24(23)34-4)27-22(17-33-3)21-14-19(10-9-13-32-2)15-25(35-5)28(21)41-27/h11-12,14-16,18,22,26-27,29-31H,9-10,13,17H2,1-8H3/t18-,22?,26-,27?,29+,30+,31-/m1/s1 |
| InChIKey | CQVXZXTWFQOEAQ-ATAGEEMRSA-N |
| Mol Weight | 576.7 g/mol |
| Molecular Formula | C31H44O10 |
| Exact Mass | 576.293448 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A8Ob0OJffR4 |
|---|---|
| Name | .alpha.-D-Mannopyranoside, 4-[2,3-dihydro-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-hydroxy-2-benzofuranyl]-2-methoxyphenyl 6-deoxy-, 6me derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 576.293447607 u |
| Formula | C31H44O10 |
| InChI | InChI=1S/C31H44O10/c1-18-26(36-6)29(37-7)30(38-8)31(39-18)40-23-12-11-20(16-24(23)34-4)27-22(17-33-3)21-14-19(10-9-13-32-2)15-25(35-5)28(21)41-27/h11-12,14-16,18,22,26-27,29-31H,9-10,13,17H2,1-8H3/t18-,22?,26-,27?,29+,30+,31-/m1/s1 |
| InChIKey | CQVXZXTWFQOEAQ-ATAGEEMRSA-N |
| Molecular Weight | 576.683 g/mol |
| SMILES | [C@]1(O[C@@]([C@]([C@@]([C@@]1(OC)[H])(OC)[H])(OC)[H])(C)[H])(OC1=C(C=C(C=C1)C1OC2=C(C1COC)C=C(C=C2OC)CCCOC)OC)[H] |