Details of Carumbelloside III
| IUPAC | (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-hydroxy-6-[[(3S,8R,9S,10R,13R,14S,17S)-14-hydroxy-10,13-dimethyl-17-[(1R)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical Smiles | CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CC=C3C2)O)C(C)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)OC)OC7C(C(C(C(O7)CO)O)O)O |
| Inchi | ZIRUZIJLGKNREM-MHSBJCNDSA-N |
| PubChem ID | 10652996 |
| Smiles | COC1C(O)C(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)OC5OC(CO)C(O)C(O)C5O)CCC43O)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1O |
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| Class | Pregnane steroids |
| Super Class | Steroids |
| Pathways | Terpenoids |
