Details of Grandinin
| IUPAC | (46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-46-[(3R,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone |
| Canonical Smiles | C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)C8(C(C(C(O8)CO)O)O)O)OC(=O)C9=CC(=C(C(=C9C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O |
| Inchi | GCEXRPOQEVIITL-XJDSPLDHSA-N |
| PubChem ID | 492392 |
| Smiles | O=C1OCC2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC(C2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O)C1OC(=O)c2c-4c(O)c(O)c(O)c2C1C1(O)OC(CO)C(O)C1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/O%3DC1OCC2OC%28%3DO%29c3cc%28O%29c%28O%29c%28O%29c3-c3c%28O%29c%28O%29c%28O%29c4c3C%28%3DO%29OC%28C2OC%28%3DO%29c2cc%28O%29c%28O%29c%28O%29c2-c2c1cc%28O%29c%28O%29c2O%29C1OC%28%3DO%29c2c-4c%28O%29c%28O%29c%28O%29c2C1C1%28O%29OC%28CO%29C%28O%29C1O/file?format=sdf&get3d=True -- O%3DC1OCC2OC%28%3DO%29c3cc%28O%29c%28O%29c%28O%29c3-c3c%28O%29c%28O%29c%28O%29c4c3C%28%3DO%29OC%28C2OC%28%3DO%29c2cc%28O%29c%28O%29c%28O%29c2-c2c1cc%28O%29c%28O%29c2O%29C1OC%28%3DO%29c2c-4c%28O%29c%28O%29c%28O%29c2C1C1%28O%29OC%28CO%29C%28O%29C1O could not be loaded.
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