1. Primary Information
| English name: | Praesorether G |
| CAS No.: | - |
| Molecular formula: | C43H40O16 |
| Molecular weight: | 812.8 g/mol |
| SMILES: | CC1=CC(=C(C(=C1C(=O)OC)OC2=C(C(=C(C=C2C)O)CC3=C(C(=C(C=C3O)O)CC4=C(C=C(C(=C4O)OC5=C(C(=CC(=C5C=O)O)C)C(=O)OC)C)O)C)O)C=O)O |
| 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
methyl 3-formyl-2-[3-[[3-[[3-(2-formyl-3-hydroxy-6-methoxycarbonyl-5-methylphenoxy)-2,6-dihydroxy-4-methylphenyl]methyl]-4,6-dihydroxy-2-methylphenyl]methyl]-2,4-dihydroxy-6-methylphenoxy]-4-hydroxy-6-methylbenzoate
4.2 InChI
InChI=1S/C43H40O16/c1-17-8-30(48)26(15-44)40(34(17)42(54)56-6)58-38-19(3)10-28(46)24(36(38)52)12-22-21(5)23(33(51)14-32(22)50)13-25-29(47)11-20(4)39(37(25)53)59-41-27(16-45)31(49)9-18(2)35(41)43(55)57-7/h8-11,14-16,46-53H,12-13H2,1-7H3
4.3 InChIKey
NVOBTORSEPCFDR-UHFFFAOYSA-N
4.4 Canonical SMILES
CC1=CC(=C(C(=C1C(=O)OC)OC2=C(C(=C(C=C2C)O)CC3=C(C(=C(C=C3O)O)CC4=C(C=C(C(=C4O)OC5=C(C(=CC(=C5C=O)O)C)C(=O)OC)C)O)C)O)C=O)O
4.5 Isomeric SMILES
-
