1. Primary Information
| English name: | Jatamanvaltrate B |
| CAS No.: | 1134138-66-1 |
| Molecular formula: | C32H50O13 |
| Molecular weight: | 642.7 g/mol |
| SMILES: | CC(C)CC(=O)OCC1(C(CC2(C1C(OC=C2COC(=O)C(C(C)C)OC(=O)CC(C)C)OC(=O)CC(C)C)O)OC(=O)C)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 5760 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(1S,4aR,6S,7R,7aS)-6-acetyloxy-4a,7-dihydroxy-1-(3-methylbutanoyloxy)-7-(3-methylbutanoyloxymethyl)-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-yl]methyl 3-methyl-2-(3-methylbutanoyloxy)butanoate
4.2 InChI
InChI=1S/C32H50O13/c1-17(2)10-24(34)42-16-32(39)23(43-21(9)33)13-31(38)22(15-41-30(28(31)32)45-26(36)12-19(5)6)14-40-29(37)27(20(7)8)44-25(35)11-18(3)4/h15,17-20,23,27-28,30,38-39H,10-14,16H2,1-9H3/t23-,27?,28-,30-,31-,32+/m0/s1
4.3 InChIKey
ZWCCPUWSKJGJNH-ZTJXRXMQSA-N
4.4 Canonical SMILES
CC(C)CC(=O)OCC1(C(CC2(C1C(OC=C2COC(=O)C(C(C)C)OC(=O)CC(C)C)OC(=O)CC(C)C)O)OC(=O)C)O
4.5 Isomeric SMILES
CC(C)CC(=O)OC[C@]1([C@H](C[C@]2([C@@H]1[C@@H](OC=C2COC(=O)C(C(C)C)OC(=O)CC(C)C)OC(=O)CC(C)C)O)OC(=O)C)O
