1. Primary Information
| English name: | Hybridaphniphylline A |
| CAS No.: | 1467083-07-3 |
| Molecular formula: | C37H47NO11 |
| Molecular weight: | 681.8 g/mol |
| SMILES: | CC1CN2CC3CCC45CC(C6C47C8C(C=C(C8C(O6)OC9C(C(C(C(O9)CO)O)O)O)CO)OC7=O)C4=C5C5(C3(C2CC1C5=O)C)CC4 |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 6640 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
7-(hydroxymethyl)-17,21-dimethyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,10-dioxa-23-azadecacyclo[14.11.1.11,12.12,5.116,20.02,11.013,28.017,25.018,23.08,31]hentriaconta-6,13(28)-diene-3,29-dione
4.2 InChI
InChI=1S/C37H47NO11/c1-14-10-38-11-16-3-5-35-9-19(17-4-6-36(28(17)35)29(44)18(14)8-22(38)34(16,36)2)30-37(35)24-20(47-33(37)45)7-15(12-39)23(24)31(48-30)49-32-27(43)26(42)25(41)21(13-40)46-32/h7,14,16,18-27,30-32,39-43H,3-6,8-13H2,1-2H3
4.3 InChIKey
NUZJHFQGXVKNBJ-UHFFFAOYSA-N
4.4 Canonical SMILES
CC1CN2CC3CCC45CC(C6C47C8C(C=C(C8C(O6)OC9C(C(C(C(O9)CO)O)O)O)CO)OC7=O)C4=C5C5(C3(C2CC1C5=O)C)CC4
4.5 Isomeric SMILES
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