Details of Castamollinin
| IUPAC | 7,8,9,12,13,14,24,25,26,29,30,31,34,35,36,45-hexadecahydroxy-15-(7,8,9,12,13,14,24,25,26,29,30,31,34,35,36-pentadecahydroxy-4,17,22,39,43-pentaoxo-3,18,21,40,42-pentaoxanonacyclo[26.13.3.123,27.137,41.02,20.05,10.011,16.032,44.033,38]hexatetraconta-5,7,9,11,13,15,23,25,27(46),28(44),29,31,33(38),34,36-pentadecaen-45-yl)-3,18,21,40,42-pentaoxanonacyclo[26.13.3.123,27.137,41.02,20.05,10.011,16.032,44.033,38]hexatetraconta-5,7,9,11(16),12,14,23,25,27(46),28(44),29,31,33(38),34,36-pentadecaene-4,17,22,39,43-pentone |
| Canonical Smiles | C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=CC(=C(C(=C7O)O)O)C(=O)O2)O)O)O)O)O)O)C8=C(C(=C(C9=C8C(=O)OCC2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C4=C(C(=C(C(=C4C(=O)O3)C3=CC(=C(C(=C3O)O)O)C(=O)O2)O)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C29)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O |
| Inchi | XWSLEYDLYCSCJU-UHFFFAOYSA-N |
| PubChem ID | 152771917 |
| Smiles | O=C1OC2COC(=O)c3c(c(O)c(O)c(O)c3C3c4c(O)c(O)c(O)c5c4C(=O)OC3C3OC(=O)c4c(c(O)c(O)c(O)c4-5)-c4cc(c(O)c(O)c4O)C(=O)OC4COC(=O)c5cc(O)c(O)c(O)c5-c5c(cc(O)c(O)c5O)C(=O)OC43)-c3c(cc(O)c(O)c3O)C(=O)OC2C2OC(=O)c3c(c(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC2C4O)-c2cc1c(O)c(O)c2O |
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