1. Primary Information
| English name: | Beauvericin C |
| CAS No.: | - |
| Molecular formula: | C48H63N3O9 |
| Molecular weight: | 826.0 g/mol |
| SMILES: | CC[C@H](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@@H](C)CC)CC3=CC=CC=C3)C)[C@@H](C)CC)CC4=CC=CC=C4)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
(3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-6,12,18-tris[(2S)-butan-2-yl]-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
4.2 InChI
InChI=1S/C48H63N3O9/c1-10-31(4)40-43(52)49(7)38(29-35-24-18-14-19-25-35)47(56)59-42(33(6)12-3)45(54)51(9)39(30-36-26-20-15-21-27-36)48(57)60-41(32(5)11-2)44(53)50(8)37(46(55)58-40)28-34-22-16-13-17-23-34/h13-27,31-33,37-42H,10-12,28-30H2,1-9H3/t31-,32-,33-,37-,38-,39-,40+,41+,42+/m0/s1
4.3 InChIKey
SUYIKDSCLNTKHW-AABATXNOSA-N
4.4 Canonical SMILES
CC[C@H](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@@H](C)CC)CC3=CC=CC=C3)C)[C@@H](C)CC)CC4=CC=CC=C4)C
4.5 Isomeric SMILES
-
