1. Primary Information
| English name: | Paris saponin V palmitate |
| CAS No.: | 1459260-68-4 |
| Molecular formula: | C55H92O13 |
| Molecular weight: | 961.3 g/mol |
| SMILES: | CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CC6C5C(C7(O6)CCC(CO7)C)C)C)C)OC8C(C(C(C(O8)C)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% | 2800 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[3,4-dihydroxy-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methyl hexadecanoate
4.2 InChI
InChI=1S/C55H92O13/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-43(56)62-32-42-46(58)48(60)50(67-51-49(61)47(59)45(57)35(4)64-51)52(66-42)65-37-24-26-53(5)36(29-37)21-22-38-39(53)25-27-54(6)40(38)30-41-44(54)34(3)55(68-41)28-23-33(2)31-63-55/h21,33-35,37-42,44-52,57-61H,7-20,22-32H2,1-6H3
4.3 InChIKey
HBFKYOLVZFOGAH-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CC6C5C(C7(O6)CCC(CO7)C)C)C)C)OC8C(C(C(C(O8)C)O)O)O)O)O
4.5 Isomeric SMILES
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