1. Primary Information
| English name: | 2-[(E)-5-[6-Hydroxy-5,8a-dimethyl-2-methylidene-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| CAS No.: | 90851-28-8 |
| Molecular formula: | C32H54O13 |
| Molecular weight: | 646.8 g/mol |
| SMILES: | CC(=CCOC1C(C(C(C(O1)CO)O)O)O)CCC2C(=C)CCC3C2(CCC(C3(C)COC4C(C(C(C(O4)CO)O)O)O)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% | 6960 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-[(E)-5-[6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
4.2 InChI
InChI=1S/C32H54O13/c1-16(10-12-42-29-27(40)25(38)23(36)19(13-33)44-29)5-7-18-17(2)6-8-21-31(18,3)11-9-22(35)32(21,4)15-43-30-28(41)26(39)24(37)20(14-34)45-30/h10,18-30,33-41H,2,5-9,11-15H2,1,3-4H3/b16-10+
4.3 InChIKey
QIOMMMCQFIBVKA-MHWRWJLKSA-N
4.4 Canonical SMILES
CC(=CCOC1C(C(C(C(O1)CO)O)O)O)CCC2C(=C)CCC3C2(CCC(C3(C)COC4C(C(C(C(O4)CO)O)O)O)O)C
4.5 Isomeric SMILES
C/C(=C\COC1C(C(C(C(O1)CO)O)O)O)/CCC2C(=C)CCC3C2(CCC(C3(C)COC4C(C(C(C(O4)CO)O)O)O)O)C
