Details of Isoalangimarine
| IUPAC | (3R,4R,6aS,6bR,8S,8aS,12aR,14bS)-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid |
| Canonical Smiles | CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C(=O)O)OC6C(C(C(CO6)O)O)O)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C |
| Inchi | ARNBRPDSKOETGW-ZXLHCUQZSA-N |
| PubChem ID | 133562223 |
| Smiles | CC=C1CN2CCc3c([nH]c4ccccc34)C2CC1C(Cc1c[n+]2c(c3[nH]c4ccccc4c13)CC1C(C(=O)OC)=COC(C)C1C2)C(=O)OC |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC%3DC1CN2CCc3c%28%5BnH%5Dc4ccccc34%29C2CC1C%28Cc1c%5Bn%20%5D2c%28c3%5BnH%5Dc4ccccc4c13%29CC1C%28C%28%3DO%29OC%29%3DCOC%28C%29C1C2%29C%28%3DO%29OC/file?format=sdf&get3d=True -- CC%3DC1CN2CCc3c%28%5BnH%5Dc4ccccc34%29C2CC1C%28Cc1c%5Bn%20%5D2c%28c3%5BnH%5Dc4ccccc4c13%29CC1C%28C%28%3DO%29OC%29%3DCOC%28C%29C1C2%29C%28%3DO%29OC could not be loaded.
| Class | Oleanane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |