1. Primary Information
| English name: | Cucurbitacin IIa 2-O-glucoside |
| CAS No.: | 77704-34-8 |
| Molecular formula: | C38H60O13 |
| Molecular weight: | 724.9 g/mol |
| SMILES: | CC(=O)OC(C)(C)CCC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(C4(C)C)O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)O)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 5200 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[6-[3,16-dihydroxy-4,4,9,13,14-pentamethyl-11-oxo-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxoheptan-2-yl] acetate
4.2 InChI
InChI=1S/C38H60O13/c1-18(40)51-33(2,3)13-12-25(42)38(9,48)30-21(41)15-35(6)24-11-10-19-20(37(24,8)26(43)16-36(30,35)7)14-22(31(47)34(19,4)5)49-32-29(46)28(45)27(44)23(17-39)50-32/h10,20-24,27-32,39,41,44-48H,11-17H2,1-9H3
4.3 InChIKey
BCTZZCQBLBDVRU-UHFFFAOYSA-N
4.4 Canonical SMILES
CC(=O)OC(C)(C)CCC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(C4(C)C)O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)O)O
4.5 Isomeric SMILES
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