1. Primary Information
| English name: | [5-Acetyloxy-2-(acetyloxymethyl)-6-[2-(3,4-diacetyloxyphenyl)ethoxy]-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] 3-(3,4-diacetyloxyphenyl)prop-2-enoate |
| CAS No.: | 132302-25-1 |
| Molecular formula: | C49H56O26 |
| Molecular weight: | 1061.0 g/mol |
| SMILES: | CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C)OCCC3=CC(=C(C=C3)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C=CC4=CC(=C(C=C4)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 3600 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[5-acetyloxy-2-(acetyloxymethyl)-6-[2-(3,4-diacetyloxyphenyl)ethoxy]-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] 3-(3,4-diacetyloxyphenyl)prop-2-enoate
4.2 InChI
InChI=1S/C49H56O26/c1-23(50)62-21-39-42(68-29(7)56)44(69-30(8)57)47(71-32(10)59)49(73-39)75-45-43(74-41(60)16-13-33-11-14-35(64-25(3)52)37(19-33)66-27(5)54)40(22-63-24(2)51)72-48(46(45)70-31(9)58)61-18-17-34-12-15-36(65-26(4)53)38(20-34)67-28(6)55/h11-16,19-20,39-40,42-49H,17-18,21-22H2,1-10H3
4.3 InChIKey
LDRYJMGKCCNYBN-UHFFFAOYSA-N
4.4 Canonical SMILES
CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C)OCCC3=CC(=C(C=C3)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C=CC4=CC(=C(C=C4)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
4.5 Isomeric SMILES
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