1. Primary Information
| English name: | Tasumatrol L |
| CAS No.: | 847835-17-0 |
| Molecular formula: | C36H44O15 |
| Molecular weight: | 716.7 g/mol |
| SMILES: | CC(=O)OC1CC(C(=C)C2C1(C(C(C3(C4(COC3(C(=O)C(C4C2OC(=O)C)CO)C)C)O)OC(=O)C)OC(=O)C)COC(=O)C5=CC=CC=C5)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 5840 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(1R,2R,3S,4R,5R,6S,8S,10R,11R,12R,13S,15S)-3,4,6,11-tetraacetyloxy-2,8-dihydroxy-13-(hydroxymethyl)-1,15-dimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-5-yl]methyl benzoate
4.2 InChI
InChI=1S/C36H44O15/c1-17-24(42)13-25(48-18(2)38)35(16-46-32(44)22-11-9-8-10-12-22)26(17)28(49-19(3)39)27-23(14-37)29(43)34(7)36(45,33(27,6)15-47-34)31(51-21(5)41)30(35)50-20(4)40/h8-12,23-28,30-31,37,42,45H,1,13-16H2,2-7H3/t23-,24+,25+,26+,27+,28+,30+,31+,33+,34-,35-,36+/m1/s1
4.3 InChIKey
ZFXSJZPTCKIFHG-CXFIUYFASA-N
4.4 Canonical SMILES
CC(=O)OC1CC(C(=C)C2C1(C(C(C3(C4(COC3(C(=O)C(C4C2OC(=O)C)CO)C)C)O)OC(=O)C)OC(=O)C)COC(=O)C5=CC=CC=C5)O
4.5 Isomeric SMILES
CC(=O)O[C@H]1C[C@@H](C(=C)[C@@H]2[C@@]1([C@H]([C@@H]([C@@]3([C@]4(CO[C@@]3(C(=O)[C@@H]([C@H]4[C@H]2OC(=O)C)CO)C)C)O)OC(=O)C)OC(=O)C)COC(=O)C5=CC=CC=C5)O
