NCIMech_000559
Molecular Formula:
C52H76O24
InChI: InChI=1/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33-,34-,35-,36-,37?,41-,42+,43+,44+,45+,49+,50-,51+,52+/m1/s1
InChIKey: InChIKey=CFCUWKMKBJTWLW-HCLGITKPBT
SMILES: CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)C(C(C)O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O
Names:
NCIMech_000559
(2R,3S)-2-[(2R,4R,5R,6R)-4-[(2R,4R,5S,6R)-4-[(4S,5S,6R)-4,5-dihydroxy-4,6-dimethyl-oxan-2-yl]oxy-5-hydroxy-6-methyl-oxan-2-yl]oxy-5-hydroxy-6-methyl-oxan-2-yl]oxy-3-[(1S,3R,4R)-3,4-dihydroxy-1-methoxy-2-oxo-pentyl]-6-[(2R,4R,5R,6R)-4-[(2R,4R,5R,6R)-4,5-dihydroxy-6-methyl-oxan-2-yl]oxy-5-hydroxy-6-methyl-oxan-2-yl]oxy-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one
Registries:
PubChem CID 6713161
PubChem ID 11447206
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