Bruceoside A
Molecular Formula:
C32H42O16
InChI: InChI=1/C32H42O16/c1-11(2)6-17(34)48-23-25-31-10-44-32(25,29(42)43-5)26(40)22(39)24(31)30(4)8-14(18(35)12(3)13(30)7-16(31)47-27(23)41)45-28-21(38)20(37)19(36)15(9-33)46-28/h6,8,12-13,15-16,19-26,28,33,36-40H,7,9-10H2,1-5H3/t12u,13-,15u,16+,19?,20?,21?,22+,23+,24+,25+,26-,28?,30-,31+,32u/m0/s1
InChIKey: InChIKey=AKSGLPBROCFVSE-KGIWQCRCBH
SMILES: CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC
Names:
Bruceoside A
NSC296941
Registries:
PubChem CID 326199
PubChem ID 147082
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