Details of RUBELLIN
| IUPAC | (1S,3R,5R,6S,7S,9R,10R,13R,14S,16R,19R,21S,22R,23S,25S)-7,13,14,16,22,25-hexahydroxy-21-methoxy-5,9,23-trimethyl-10-(6-oxopyran-3-yl)-2,20,24-trioxahexacyclo[19.3.1.03,19.05,17.06,14.09,13]pentacos-17-en-8-one |
| Canonical Smiles | CC1C(C2(C(C(O1)OC3CC4(C5C(C(=O)C6(C(CCC6(C5(CC(C4=CC3O2)O)O)O)C7=COC(=O)C=C7)C)O)C)O)OC)O |
| Inchi | ZHRVXLJKFZCJGO-HEFIRDGPSA-N |
| PubChem ID | 102150680 |
| Smiles | COC12OC3C=C4C(O)CC5(O)C(C(=O)C(O)C6(C)C(c7ccc(=O)oc7)CCC56O)C4(C)CC3OC(OC(C)C1O)C2O |
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