1. Primary Information
| English name: | Beauvericin K |
| CAS No.: | - |
| Molecular formula: | C42H59N3O9 |
| Molecular weight: | 749.9 g/mol |
| SMILES: | CC(C)C[C@@H]1C(=O)O[C@H](C(=O)N([C@@H](C(=O)O[C@H](C(=O)N([C@@H](C(=O)O[C@H](C(=O)N1C)C(C)C)CC2=CC=CC=C2)C)C(C)C)CC3=CC=CC=C3)C)C(C)C |
| Structural class: | |
| Other identifiers: |
- |
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
(3R,6S,9R,12S,15R,18S)-3,9-dibenzyl-4,10,16-trimethyl-15-(2-methylpropyl)-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
4.2 InChI
InChI=1S/C42H59N3O9/c1-25(2)22-31-40(49)52-35(27(5)6)38(47)44(10)33(24-30-20-16-13-17-21-30)42(51)54-36(28(7)8)39(48)45(11)32(23-29-18-14-12-15-19-29)41(50)53-34(26(3)4)37(46)43(31)9/h12-21,25-28,31-36H,22-24H2,1-11H3/t31-,32-,33-,34+,35+,36+/m1/s1
4.3 InChIKey
VMWJARAMMKGYIN-KKNHVHQESA-N
4.4 Canonical SMILES
CC(C)C[C@@H]1C(=O)O[C@H](C(=O)N([C@@H](C(=O)O[C@H](C(=O)N([C@@H](C(=O)O[C@H](C(=O)N1C)C(C)C)CC2=CC=CC=C2)C)C(C)C)CC3=CC=CC=C3)C)C(C)C
4.5 Isomeric SMILES
-
