Details of Carumbelloside IV
| IUPAC | [(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[(1R)-1-[(3S,8R,9S,10R,13R,14S,17S)-14-hydroxy-3-[(2R,3R,4R,5S,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-6-(hydroxymethyl)oxan-3-yl] benzoate |
| Canonical Smiles | CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CC=C3C2)O)C(C)OC6C(C(C(C(O6)CO)O)O)OC(=O)C7=CC=CC=C7)C)C)O)OC)OC8C(C(C(C(O8)CO)O)O)O |
| Inchi | UFVNMTNWYNSHMU-VICMOGGZSA-N |
| PubChem ID | 10510038 |
| Smiles | COC1C(O)C(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)OC5OC(CO)C(O)C(O)C5OC(=O)c5ccccc5)CCC43O)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1O |
| Class | Pregnane steroids |
| Super Class | Steroids |
| Pathways | Terpenoids |