1. Primary Information
| English name: | Glycolithocholic acid sodium salt |
| CAS No.: | 24404-83-9 |
| Molecular formula: | C26H42NNAO4 |
| Molecular weight: | 455.6 g/mol |
| SMILES: | CC(CCC(=O)NCC(=O)[O-])C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C.[Na+] |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 1472 | 2-8°C | in stock | - |
| Kehua Intelligence | 20mg | 98% | 2080 | 2-8°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
sodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate
4.2 InChI
InChI=1S/C26H43NO4.Na/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3;/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31);/q;+1/p-1/t16-,17-,18-,19+,20-,21+,22+,25+,26-;/m1./s1
4.3 InChIKey
LQKBJAKZKFBLIB-LGURPPGFSA-M
4.4 Canonical SMILES
CC(CCC(=O)NCC(=O)[O-])C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C.[Na+]
4.5 Isomeric SMILES
C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C.[Na+]
