1. Primary Information
| English name: | Stearyl glycyrrhetinate |
| CAS No.: | 13832-70-7 |
| Molecular formula: | C48H82O4 |
| Molecular weight: | 723.2 g/mol |
| SMILES: | CCCCCCCCCCCCCCCCCCOC(=O)C1(CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C |
| Structural class: | |
| Other identifiers: |
stearyl glycyrrhetinate |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 20mg | HPLC≥98% | 64 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | ≥95%(UV) | 72 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | ≥95%(UV) | 224 | 2-8℃ | in stock | - |
| Kehua Intelligence | 10g | ≥95%(UV) | 400 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | ≥95%(UV) | 680 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
octadecyl (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
4.2 InChI
InChI=1S/C48H82O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-33-52-42(51)45(5)30-29-44(4)31-32-47(7)36(37(44)35-45)34-38(49)41-46(6)27-26-40(50)43(2,3)39(46)25-28-48(41,47)8/h34,37,39-41,50H,9-33,35H2,1-8H3/t37-,39-,40-,41+,44+,45-,46-,47+,48+/m0/s1
4.3 InChIKey
WNIFXKPDILJURQ-JKPOUOEOSA-N
4.4 Canonical SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C1(CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C
4.5 Isomeric SMILES
CCCCCCCCCCCCCCCCCCOC(=O)[C@]1(CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2C1)C)C)C
