1. Primary Information
| English name: | Platycogenin A |
| CAS No.: | 1459719-53-9 |
| Molecular formula: | C42H68O16 |
| Molecular weight: | 829.0 g/mol |
| SMILES: | CC1(CC2C3=CCC4C(C3(CC(C2(CC1O)C(=O)O)OC5C(C(C(C(O5)CO)O)O)O)C)(CCC6C4(CC(C(C6(C)C)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C |
| 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
3,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-5,10-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
4.2 InChI
InChI=1S/C42H68O16/c1-37(2)12-19-18-8-9-24-39(5)13-20(45)33(58-35-32(52)30(50)28(48)22(17-44)56-35)38(3,4)23(39)10-11-40(24,6)41(18,7)15-26(42(19,36(53)54)14-25(37)46)57-34-31(51)29(49)27(47)21(16-43)55-34/h8,19-35,43-52H,9-17H2,1-7H3,(H,53,54)
4.3 InChIKey
IRXSNGAQRPMOKM-UHFFFAOYSA-N
4.4 Canonical SMILES
CC1(CC2C3=CCC4C(C3(CC(C2(CC1O)C(=O)O)OC5C(C(C(C(O5)CO)O)O)O)C)(CCC6C4(CC(C(C6(C)C)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C
4.5 Isomeric SMILES
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