1. Primary Information
| English name: | Trigothysoid P |
| CAS No.: | 1501943-10-7 |
| Molecular formula: | C44H58O12 |
| Molecular weight: | 778.9 g/mol |
| SMILES: | CC1CC2C34C(C5C6(C(C3C7C(O7)(C(C2(C1OC(=O)C=CC=CC(C8CCC(C8C)CC6(C)O)OC(=O)CC(C)C)O)O)C)OC(O5)(O4)C9=CC=CC=C9)O)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥96.5% | 8000 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(1R,2S,5R,6S,7S,8R,10S,11S,14Z,16Z,18S,19S,22R,24R,25S,26R,28S,30S,31R,33S)-6,7,24,25-tetrahydroxy-5,10,24,31,33-pentamethyl-13-oxo-28-phenyl-4,12,27,29,32-pentaoxaoctacyclo[26.3.1.119,22.01,8.02,26.03,5.07,11.025,30]tritriaconta-14,16-dien-18-yl] 3-methylbutanoate
4.2 InChI
InChI=1S/C44H58O12/c1-22(2)19-32(46)51-29-15-11-12-16-31(45)52-34-23(3)20-30-41(34,49)38(47)40(7)36(53-40)33-37-43(50,39(6,48)21-26-17-18-28(29)24(26)4)35-25(5)42(30,33)56-44(54-35,55-37)27-13-9-8-10-14-27/h8-16,22-26,28-30,33-38,47-50H,17-21H2,1-7H3/b15-11-,16-12-/t23-,24-,25+,26+,28-,29-,30+,33-,34-,35-,36?,37+,38+,39+,40-,41+,42-,43-,44-/m0/s1
4.3 InChIKey
RWZNHRBBFPIOQX-DNFVIXMQSA-N
4.4 Canonical SMILES
CC1CC2C34C(C5C6(C(C3C7C(O7)(C(C2(C1OC(=O)C=CC=CC(C8CCC(C8C)CC6(C)O)OC(=O)CC(C)C)O)O)C)OC(O5)(O4)C9=CC=CC=C9)O)C
4.5 Isomeric SMILES
C[C@H]1C[C@H]2[C@@]34[C@@H]([C@H]5[C@@]6([C@@H]([C@@H]3C7[C@](O7)([C@H]([C@@]2([C@H]1OC(=O)/C=C\C=C/[C@@H]([C@H]8CC[C@@H]([C@@H]8C)C[C@@]6(C)O)OC(=O)CC(C)C)O)O)C)O[C@](O5)(O4)C9=CC=CC=C9)O)C
