1. Primary Information
| English name: | Clinoposaponin D |
| CAS No.: | 1822328-43-7 |
| Molecular formula: | C48H78O19 |
| Molecular weight: | 959.1 g/mol |
| SMILES: | CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC5=C6CC(CCC6(C(CC54C)O)CO)(C)CO)C)C)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O |
| Structural class: | |
| Other identifiers: |
3beta,16beta,23alpha,28beta,30beta-pentahydroxyl-olean-11,13(18)-dien-3beta-yl-(beta-D-glucopyranosyl-(1-2))-(beta-D-glucopyranosyl-(1-3))-beta-D-fucopyranoside clinoposaponin D |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 3600 | 2-8℃ | in stock | - |
| Kehua Intelligence | 10mg | HPLC≥98% | 5600 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-[5-hydroxy-2-[[8-hydroxy-4,8a,11-tris(hydroxymethyl)-4,6a,6b,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
4.2 InChI
InChI=1S/C48H78O19/c1-22-31(55)38(66-40-36(60)34(58)32(56)25(17-49)63-40)39(67-41-37(61)35(59)33(57)26(18-50)64-41)42(62-22)65-30-10-11-44(3)27(45(30,4)20-52)9-12-46(5)28(44)8-7-23-24-15-43(2,19-51)13-14-48(24,21-53)29(54)16-47(23,46)6/h7-8,22,25-42,49-61H,9-21H2,1-6H3
4.3 InChIKey
KWPHFSYEPKEHDX-UHFFFAOYSA-N
4.4 Canonical SMILES
CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC5=C6CC(CCC6(C(CC54C)O)CO)(C)CO)C)C)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O
4.5 Isomeric SMILES
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