1. Primary Information
| English name: | CID 134715146 |
| CAS No.: | 868168-04-1 |
| Molecular formula: | C42H32O9 |
| Molecular weight: | 680.7 g/mol |
| SMILES: | C1=CC(=CC=C1C2C3C(C(C4=C3C=C(C=C4O)O)C5=CC=C(C=C5)O)C6=C2C(=CC7=C6C(C(O7)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)O)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 4080 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(1R,4S,11R,12R,19R)-4-(3,5-dihydroxyphenyl)-5,11,19-tris(4-hydroxyphenyl)-6-oxapentacyclo[10.7.0.02,10.03,7.013,18]nonadeca-2(10),3(7),8,13(18),14,16-hexaene-9,15,17-triol
4.2 InChI
InChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-36-29(16-28(48)17-30(36)49)37-34(20-3-9-24(44)10-4-20)38-31(50)18-32-39(41(38)40(33)37)35(22-13-26(46)15-27(47)14-22)42(51-32)21-5-11-25(45)12-6-21/h1-18,33-35,37,40,42-50H/t33-,34+,35+,37+,40+,42?/m1/s1
4.3 InChIKey
INYJURCVVVSCHN-YQYBLDPYSA-N
4.4 Canonical SMILES
C1=CC(=CC=C1C2C3C(C(C4=C3C=C(C=C4O)O)C5=CC=C(C=C5)O)C6=C2C(=CC7=C6C(C(O7)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)O)O
4.5 Isomeric SMILES
C1=CC(=CC=C1[C@H]2[C@H]3[C@H]([C@@H](C4=C3C=C(C=C4O)O)C5=CC=C(C=C5)O)C6=C2C(=CC7=C6[C@@H](C(O7)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)O)O
