Bruceoside C
Molecular Formula:
C32H42O16
InChI: InChI=1/C32H42O16/c1-11(2)6-16(35)46-24-18-12(3)23(48-28-21(39)20(38)19(37)14(9-33)45-28)13(34)8-30(18,4)25-22(40)26(41)32(29(42)43-5)15-7-17(36)47-27(24)31(15,25)10-44-32/h6,14-15,18-22,24-28,33,37-41H,7-10H2,1-5H3/t14-,15-,18-,19-,20-,21-,22-,24-,25-,26+,27-,28+,30+,31+,32u/m1/s1
InChIKey: InChIKey=ASOOSZCOBHWYHJ-VRPICXSHBM
SMILES: CC1=C(C(=O)CC2(C1C(C3C45C2C(C(C(C4CC(=O)O3)(OC5)C(=O)OC)O)O)OC(=O)C=C(C)C)C)OC6C(C(C(C(O6)CO)O)O)O
Names:
Bruceoside C
Picras-3-en-21-oic acid, 13,20-epoxy-3-(beta-D-glucopyranosyloxy)-11,12-dihydroxy-6-((3-methyl-1-oxo-2-butenyl)oxy)-2,16-dioxo-, methyl ester, (6alpha,11beta,12alpha)-
141271-79-6
Registries:
PubChem CID 73122
PubChem ID 215365
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