BRUCEIN Q
Molecular Formula:
C44H58O24
InChI: InChI=1/C28H34O12.C14H20O10.C2H4O2/c1-11(2)7-15(31)39-19-21-27-10-37-28(21,25(35)36-6)22(33)17(32)20(27)26(5)9-14(30)8-12(3)16(26)18(38-13(4)29)23(27)40-24(19)34;1-6(15)20-5-10-11(21-7(2)16)12(22-8(3)17)13(14(19)24-10)23-9(4)18;1-2(3)4/h7-8,16-23,32-33H,9-10H2,1-6H3;10-14,19H,5H2,1-4H3;1H3,(H,3,4)/f/h;;3H
InChIKey: InChIKey=RILMBBWFTJTICF-UIFUPKCQCA
SMILES: CC1=CC(=O)CC2(C1C(C3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)OC(=O)C)C.CC(=O)O.CC(=O)OCC1C(C(C(C(O1)O)OC(=O)C)OC(=O)C)OC(=O)C
Names:
BRUCEIN Q
NSC241538
Registries:
PubChem CID 315760
PubChem ID 134967
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