1. Primary Information
| English name: | CID 154831510 |
| CAS No.: | 245724-07-6 |
| Molecular formula: | C32H40O21 |
| Molecular weight: | 760.6 g/mol |
| SMILES: | COC1=CC(=C2C(=C1)C=C3C(=C2O)C(=CC(=O)O3)O)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | HPLC≥98% | 2400 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
6-[(2R,3S,4R,5R,6S)-6-[[(2S,3S,4R,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-8-methoxybenzo[g]chromen-2-one
4.2 InChI
InChI=1S/C32H40O21/c1-46-10-2-9-3-12-19(11(35)5-17(36)48-12)23(40)18(9)13(4-10)49-31-26(43)25(42)21(38)16(52-31)8-47-30-28(45)29(22(39)15(7-34)50-30)53-32-27(44)24(41)20(37)14(6-33)51-32/h2-5,14-16,20-22,24-35,37-45H,6-8H2,1H3/t14-,15-,16-,20-,21-,22-,24+,25+,26-,27-,28-,29+,30-,31-,32+/m0/s1
4.3 InChIKey
PQKJSDYYDRPGKZ-WUTWVFSKSA-N
4.4 Canonical SMILES
COC1=CC(=C2C(=C1)C=C3C(=C2O)C(=CC(=O)O3)O)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O
4.5 Isomeric SMILES
COC1=CC(=C2C(=C1)C=C3C(=C2O)C(=CC(=O)O3)O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O[C@@H]6[C@H]([C@@H]([C@H]([C@@H](O6)CO)O)O)O)O)O)O)O
