1. Primary Information
| English name: | Gymnoside III |
| CAS No.: | 899430-03-6 |
| Molecular formula: | C42H58O23 |
| Molecular weight: | 930.9 g/mol |
| SMILES: | CC(C)CC(CC(=O)OCC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)(C(=O)OCC3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)COC(=O)C)O)O)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Purchase | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | HPLC≥98% | 1300 | Buy now | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-(2-methylpropyl)butanedioate
4.2 InChI
InChI=1S/C42H58O23/c1-19(2)12-42(65-40-37(55)34(52)31(49)27(64-40)18-57-20(3)45,41(56)59-17-22-6-10-24(11-7-22)61-39-36(54)33(51)30(48)26(15-44)63-39)13-28(46)58-16-21-4-8-23(9-5-21)60-38-35(53)32(50)29(47)25(14-43)62-38/h4-11,19,25-27,29-40,43-44,47-55H,12-18H2,1-3H3/t25-,26-,27-,29-,30-,31-,32+,33+,34+,35-,36-,37-,38-,39-,40+,42-/m1/s1
4.3 InChIKey
MHVQDAOKYCPBQU-PCBDRJNGSA-N
4.4 Canonical SMILES
CC(C)CC(CC(=O)OCC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)(C(=O)OCC3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)COC(=O)C)O)O)O
4.5 Isomeric SMILES
CC(C)C[C@@](CC(=O)OCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C(=O)OCC3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)O)O)O
