1. Primary Information
| English name: | Raddeanoside 20 |
| CAS No.: | 335354-79-5 |
| Molecular formula: | C47H76O17 |
| Molecular weight: | 913.1 g/mol |
| SMILES: | CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)CO)C)C)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)O |
| Structural class: | |
| Other identifiers: |
27-hydroxyoleanolic acid 3-O-rhamnopyranosyl-1-2-(glucopyranosyl-1-4-arabinopyranoside) raddeanoside 20 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Purchase | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 896 | Buy now | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-6a-(hydroxymethyl)-10-[(2S,3R,4S,5S)-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
4.2 InChI
InChI=1S/C47H76O17/c1-22-30(50)33(53)35(55)38(60-22)64-37-32(52)26(62-39-36(56)34(54)31(51)25(19-48)61-39)20-59-40(37)63-29-11-12-44(6)27(43(29,4)5)10-13-45(7)28(44)9-8-23-24-18-42(2,3)14-15-46(24,41(57)58)16-17-47(23,45)21-49/h8,22,24-40,48-56H,9-21H2,1-7H3,(H,57,58)/t22-,24-,25+,26-,27-,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,44-,45+,46-,47-/m0/s1
4.3 InChIKey
RNHLYDFRRIHVAM-YUSSBOCDSA-N
4.4 Canonical SMILES
CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)CO)C)C)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)O
4.5 Isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@]4([C@H](C3(C)C)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O)CO)C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)O
