Bruceantinoside-A
Molecular Formula:
C34H46O16
InChI: InChI=1/C34H46O16/c1-12(2)13(3)7-19(36)50-25-27-33-11-46-34(27,31(44)45-6)28(42)24(41)26(33)32(5)9-16(20(37)14(4)15(32)8-18(33)49-29(25)43)47-30-23(40)22(39)21(38)17(10-35)48-30/h7,9,12,14-15,17-18,21-28,30,35,38-42H,8,10-11H2,1-6H3/b13-7+/t14-,15-,17+,18+,21+,22-,23+,24+,25+,26+,27+,28-,30+,32-,33+,34u/m0/s1
InChIKey: InChIKey=ASHBUMOFZXVPPC-XHXOYXPPBG
SMILES: CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(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:
Bruceantinoside A
Bruceantinoside-A
NSC 333530
Picras-1-en-21-oic acid, 15-((3,4-dimethyl-1-oxo-2-pentenyl)oxy)-13,20-epoxy-2-(beta-D-glucopyranosyloxy)-11,12-dihydroxy-3,16-dioxo-, methyl ester, (11beta,12alpha,15beta(E))-
79439-85-3
Registries:
PubChem CID 6436226
PubChem ID 215201
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