1. Primary Information
| English name: | trans-Suffruticosol D |
| CAS No.: | 1261292-11-8 |
| Molecular formula: | C42H32O9 |
| Molecular weight: | 680.7 g/mol |
| SMILES: | C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC4=C2C(C(O4)C5=CC=C(C=C5)O)C6=CC(=CC(=C6)O)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 97% | 6560 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
5-[(2R,3R,5R,6S)-3-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-5-yl]benzene-1,3-diol
4.2 InChI
InChI=1S/C42H32O9/c43-27-8-1-22(2-9-27)3-14-34-39-35(50-41(23-4-10-28(44)11-5-23)37(39)25-15-30(46)19-31(47)16-25)21-36-40(34)38(26-17-32(48)20-33(49)18-26)42(51-36)24-6-12-29(45)13-7-24/h1-21,37-38,41-49H/b14-3+/t37-,38-,41-,42+/m1/s1
4.3 InChIKey
PHIHHTIYURVLDB-SIXZTWGTSA-N
4.4 Canonical SMILES
C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC4=C2C(C(O4)C5=CC=C(C=C5)O)C6=CC(=CC(=C6)O)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)O
4.5 Isomeric SMILES
C1=CC(=CC=C1/C=C/C2=C3[C@H]([C@@H](OC3=CC4=C2[C@H]([C@H](O4)C5=CC=C(C=C5)O)C6=CC(=CC(=C6)O)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)O
