HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4'-Hydroxy-1,1,5',7a,8,12a-hexamethyl-2-(pentopyranosyloxy)-1,3,4,6,7,7a,7b,8,9,11a,12,12a,14,14a-tetradecahydro-2H,5H-spiro[cyclopropa[1',8'a]naphtho[2',1':4,5]indeno[2,1-b]pyran-10,2'-[3,6]dioxabicyclo[3.1.0]hexan]-7-yl acetate
Prim-O-glucosylcimifygin · β-D-Xylopyranoside, (3β,12β,16β,23R,24R,25S)-12-(acetyloxy)-16,23:23,26:24,25-triepoxy-26-hydroxy-9,19-cyclolanost-7-en-3-yl · CIMICIFUGOSIDE · CIMICIFUGOSIDE USP/EP/BP
![Molekülstruktur von 4'-Hydroxy-1,1,5',7a,8,12a-hexamethyl-2-(pentopyranosyloxy)-1,3,4,6,7,7a,7b,8,9,11a,12,12a,14,14a-tetradecahydro-2H,5H-spiro[cyclopropa[1',8'a]naphtho[2',1':4,5]indeno[2,1-b]pyran-10,2'-[3,6]dioxabicyclo[3.1.0]hexan]-7-yl acetate](/img/chemical/441913.png)
Identifikatoren & physikalische Daten
| CAS No. | 66176-93-0 |
|---|---|
| Summenformel | C37H54O11 |
| Durchschnittliche Molmasse | 674,828 g/mol |
| Monoisotopische Masse | 674,36661255 g/mol |
| SMILES | CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3OC4(C[C@@H](C)[C@@H]3[C@@]12C)OC(O)C1(C)OC41 |
| InChIKey | XUJMHSCMPCZWOV-UJAIUVFWSA-N |
| PubChem CID | 441913 |
| ChEBI | CHEBI:3700 |
| DTXSID | DTXSID70984666 |
Chemische & physikalische Eigenschaften
| Dichte | 1.38±0.1 g/cm3(Predicted) |
|---|---|
| pKa (Säurekonstante) | 12.14±0.70(Predicted) |