1. Primary Information
| English name: | Glucomoringin |
| CAS No.: | 316165-49-8 |
| Molecular formula: | C20H28KNO14S2 |
| Molecular weight: | 609.7 g/mol |
| SMILES: | CC1C(C(C(C(O1)OC2=CC=C(C=C2)CC(=NOS(=O)(=O)[O-])SC3C(C(C(C(O3)CO)O)O)O)O)O)O.[K+] |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | HPLC≥98% | 3600 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
potassium;[(E)-[1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]ethylidene]amino] sulfate
4.2 InChI
InChI=1S/C20H29NO14S2.K/c1-8-13(23)15(25)17(27)19(32-8)33-10-4-2-9(3-5-10)6-12(21-35-37(29,30)31)36-20-18(28)16(26)14(24)11(7-22)34-20;/h2-5,8,11,13-20,22-28H,6-7H2,1H3,(H,29,30,31);/q;+1/p-1/b21-12+;/t8-,11+,13-,14+,15+,16-,17+,18+,19-,20-;/m0./s1
4.3 InChIKey
OVFNULRBAJGUQL-FNPJROJFSA-M
4.4 Canonical SMILES
CC1C(C(C(C(O1)OC2=CC=C(C=C2)CC(=NOS(=O)(=O)[O-])SC3C(C(C(C(O3)CO)O)O)O)O)O)O.[K+]
4.5 Isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)C/C(=N\OS(=O)(=O)[O-])/S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O.[K+]
