1. Primary Information
| English name: | CID 133561885 |
| CAS No.: | 1422506-50-0 |
| Molecular formula: | C31H37N3O6 |
| Molecular weight: | 547.6 g/mol |
| SMILES: | CC=C1C2CC3C4=C(CC(C2C5=CC(=CC(=N5)C)C)N3C1OC6C(C(C(C(O6)CO)O)O)O)C7=CC=CC=C7N4 |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥97% | 5120 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2S,3R,4S,5S,6R)-2-[[(1S,12S,14S,15E,16R)-13-(4,6-dimethylpyridin-2-yl)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-16-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
4.2 InChI
InChI=1S/C31H37N3O6/c1-4-16-18-11-23-26-19(17-7-5-6-8-20(17)33-26)12-22(25(18)21-10-14(2)9-15(3)32-21)34(23)30(16)40-31-29(38)28(37)27(36)24(13-35)39-31/h4-10,18,22-25,27-31,33,35-38H,11-13H2,1-3H3/b16-4+/t18-,22+,23+,24-,25?,27-,28+,29-,30-,31+/m1/s1
4.3 InChIKey
UCCMUMCXKRGZPN-LEPJVDAWSA-N
4.4 Canonical SMILES
CC=C1C2CC3C4=C(CC(C2C5=CC(=CC(=N5)C)C)N3C1OC6C(C(C(C(O6)CO)O)O)O)C7=CC=CC=C7N4
4.5 Isomeric SMILES
C/C=C/1\[C@H]2C[C@H]3C4=C(C[C@@H](C2C5=CC(=CC(=N5)C)C)N3[C@@H]1O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C7=CC=CC=C7N4
