1. Primary Information
| English name: | Serpentine bitartrate |
| CAS No.: | 58782-36-8 |
| Molecular formula: | C25H26N2O9 |
| Molecular weight: | 498.5 g/mol |
| SMILES: | CC1C2C[N+]3=C(CC2C(=CO1)C(=O)OC)C4=C(C=C3)C5=CC=CC=C5N4.C(C(C(=O)[O-])O)(C(=O)O)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | - | 2240 | 2-8°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
methyl (15R,16S,20S)-16-methyl-17-oxa-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,18-heptaene-19-carboxylate;2,3,4-trihydroxy-4-oxobutanoate
4.2 InChI
InChI=1S/C21H20N2O3.C4H6O6/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2;5-1(3(7)8)2(6)4(9)10/h3-8,11-12,15-16H,9-10H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t12-,15-,16+;/m0./s1
4.3 InChIKey
DSBKFQYHOCFEJB-RXAPEJBRSA-N
4.4 Canonical SMILES
CC1C2C[N+]3=C(CC2C(=CO1)C(=O)OC)C4=C(C=C3)C5=CC=CC=C5N4.C(C(C(=O)[O-])O)(C(=O)O)O
4.5 Isomeric SMILES
C[C@H]1[C@H]2C[N+]3=C(C[C@@H]2C(=CO1)C(=O)OC)C4=C(C=C3)C5=CC=CC=C5N4.C(C(C(=O)[O-])O)(C(=O)O)O
