1. Primary Information
| English name: | Sodium deoxycholate |
| CAS No.: | 302-95-4 |
| Molecular formula: | C24H39NAO4 |
| Molecular weight: | 414.6 g/mol |
| SMILES: | CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+] |
| Structural class: | |
| Other identifiers: |
12beta-Isomer Deoxycholic Acid 3beta-Isomer Deoxycholic Acid 5alpha-Isomer Deoxycholic Acid Choleic Acid Deoxycholate |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 20mg | Purity≥98% | 115 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100ml | 10%,pH8.0 | 312 | 2-8℃,6个月 | in stock | - |
| Kehua Intelligence | 100ml | 10% | 176 | 2-8℃,6个月 | in stock | - |
| Kehua Intelligence | 100ml | 1%,pH8.0 | 152 | 2-8℃,6个月 | in stock | - |
| Kehua Intelligence | 100ml | 1% | 80 | 2-8℃,6个月 | in stock | - |
| Kehua Intelligence | 100ml | 5% | 132 | 2-8℃,6个月 | in stock | - |
| Kehua Intelligence | 100ml | 10%,pH7.0 | 312 | 2-8℃,6个月 | in stock | - |
| Kehua Intelligence | 5g | BR，98% | 54 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | BR，98% | 160 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100g | BR，98% | 560 | 2-8℃ | in stock | - |
| Kehua Intelligence | 500g | BR，98% | 2240 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
sodium;(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
4.2 InChI
InChI=1S/C24H40O4.Na/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;/m1./s1
4.3 InChIKey
FHHPUSMSKHSNKW-SMOYURAASA-M
4.4 Canonical SMILES
CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+]
4.5 Isomeric SMILES
C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+]
