1. Primary Information
| English name: | CID 134715245 |
| CAS No.: | 211815-97-3 |
| Molecular formula: | C46H72O17 |
| Molecular weight: | 897.1 g/mol |
| SMILES: | CC1(C2CCC3(C(C2(CCC1OC4C(C(C(CO4)O)OC5C(C(C(C(O5)CO)O)O)O)O)C)CC=C6C3(CCC7(C6CC(=C)CC7)C(=O)OC8C(C(C(C(O8)CO)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 | 10mg | HPLC≥99% | 3360 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
4.2 InChI
InChI=1S/C46H72O17/c1-21-9-14-46(41(57)63-40-35(55)33(53)31(51)26(19-48)60-40)16-15-44(5)22(23(46)17-21)7-8-28-43(4)12-11-29(42(2,3)27(43)10-13-45(28,44)6)61-38-36(56)37(24(49)20-58-38)62-39-34(54)32(52)30(50)25(18-47)59-39/h7,23-40,47-56H,1,8-20H2,2-6H3/t23-,24+,25+,26+,27-,28+,29-,30+,31+,32-,33-,34+,35+,36+,37-,38-,39-,40-,43-,44+,45+,46-/m0/s1
4.3 InChIKey
WXWFCULTYPZHJI-LUKOXMCCSA-N
4.4 Canonical SMILES
CC1(C2CCC3(C(C2(CCC1OC4C(C(C(CO4)O)OC5C(C(C(C(O5)CO)O)O)O)O)C)CC=C6C3(CCC7(C6CC(=C)CC7)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C
4.5 Isomeric SMILES
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(=C)CC5)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O
