1. Primary Information
| English name: | Beauvericin G1 |
| CAS No.: | - |
| Molecular formula: | C44H55N3O9 |
| Molecular weight: | 769.9 g/mol |
| SMILES: | CC[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: |
- |
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-ethyl-4,10,16-trimethyl-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/C44H55N3O9/c1-9-36-39(48)45(6)34(26-31-21-15-11-16-22-31)43(52)55-38(29(4)5)41(50)47(8)35(27-32-23-17-12-18-24-32)44(53)56-37(28(2)3)40(49)46(7)33(42(51)54-36)25-30-19-13-10-14-20-30/h10-24,28-29,33-38H,9,25-27H2,1-8H3/t33-,34-,35-,36+,37+,38+/m0/s1
4.3 InChIKey
YJRWEGKODHPDNW-YAQJXRFXSA-N
4.4 Canonical SMILES
CC[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
-
