1. Primary Information
| English name: | Beauvericin F |
| CAS No.: | - |
| Molecular formula: | C46H59N3O9 |
| Molecular weight: | 798.0 g/mol |
| SMILES: | CC(C)C[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)CC2=CC=CC=C2)C)C(C)C)CC3=CC=CC=C3)C)C(C)C)CC4=CC=CC=C4)C |
| Structural class: | |
| Other identifiers: |
beauvericin F |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-4,10,16-trimethyl-6-(2-methylpropyl)-12,18-di(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
4.2 InChI
InChI=1S/C46H59N3O9/c1-29(2)25-38-41(50)47(7)36(27-33-21-15-11-16-22-33)45(54)57-40(31(5)6)43(52)49(9)37(28-34-23-17-12-18-24-34)46(55)58-39(30(3)4)42(51)48(8)35(44(53)56-38)26-32-19-13-10-14-20-32/h10-24,29-31,35-40H,25-28H2,1-9H3/t35-,36-,37-,38+,39+,40+/m0/s1
4.3 InChIKey
BYOYAJKWOUOWBH-MGTGDHFRSA-N
4.4 Canonical SMILES
CC(C)C[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)CC2=CC=CC=C2)C)C(C)C)CC3=CC=CC=C3)C)C(C)C)CC4=CC=CC=C4)C
4.5 Isomeric SMILES
-
