1. Primary Information
| English name: | Torososide A |
| CAS No.: | 165689-32-7 |
| Molecular formula: | C38H32O15 |
| Molecular weight: | 728.6 g/mol |
| SMILES: | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C(=C(C=C3C2=O)OC)C4=C5C(=C(C=C4OC)OC6C(C(C(C(O6)CO)O)O)O)C(=O)C7=C(C5=O)C=C(C=C7O)C)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 3200 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
1,8-dihydroxy-2-[5-hydroxy-2-methoxy-7-methyl-9,10-dioxo-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracen-1-yl]-3-methoxy-6-methylanthracene-9,10-dione
4.2 InChI
InChI=1S/C38H32O15/c1-12-5-14-23(17(40)7-12)33(45)25-16(30(14)42)9-19(50-3)27(35(25)47)26-20(51-4)10-21(52-38-37(49)36(48)32(44)22(11-39)53-38)28-29(26)31(43)15-6-13(2)8-18(41)24(15)34(28)46/h5-10,22,32,36-41,44,47-49H,11H2,1-4H3/t22-,32-,36+,37-,38-/m1/s1
4.3 InChIKey
XNVMNQWWYXIURB-HFMXYEJISA-N
4.4 Canonical SMILES
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C(=C(C=C3C2=O)OC)C4=C5C(=C(C=C4OC)OC6C(C(C(C(O6)CO)O)O)O)C(=O)C7=C(C5=O)C=C(C=C7O)C)O
4.5 Isomeric SMILES
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C(=C(C=C3C2=O)OC)C4=C5C(=C(C=C4OC)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C(=O)C7=C(C5=O)C=C(C=C7O)C)O
