Details of Volubiloside C
| IUPAC | (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-[(2S,3R,4S,5S,6R)-6-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical Smiles | CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(CO8)OC9C(C(C(CO9)O)O)O)O)O)O)O)O)C |
| Inchi | KVMXBSSOCCPAOR-WWJNHZDPSA-N |
| PubChem ID | 100941542 |
| Smiles | CCCCCc1cc(C)c(CCCCCCCCC(=O)O)o1 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CCCCCc1cc%28C%29c%28CCCCCCCCC%28%3DO%29O%29o1/file?format=sdf&get3d=True -- CCCCCc1cc%28C%29c%28CCCCCCCCC%28%3DO%29O%29o1 could not be loaded.
| Class | Dammarane and Protostane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |