ISOBRUCEIN A
Molecular Formula:
C26H34O11
InChI: InChI=1/C26H34O11/c1-10(2)6-15(28)37-17-19-25-9-35-26(19,23(33)34-5)21(31)16(29)18(25)24(4)12(8-14(25)36-22(17)32)11(3)7-13(27)20(24)30/h7,10,12,14,16-21,29-31H,6,8-9H2,1-5H3/t12-,14+,16+,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1
InChIKey: InChIKey=NTBOLWMPXFGUHO-FTSLJJEMBV
SMILES: CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)CC(C)C)(OC5)C(=O)OC)O)O)C)O
Names:
C08769
ISOBRUCEIN A
57629-50-2
Registries:
PubChem CID 441802
PubChem ID 10962
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