Catalog Number:
AG000YQV
Chemical Name:
4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)-
CAS Number:
128988-55-6
Molecular Formula:
C27H32O12
Molecular Weight:
548.5358
MDL Number:
MFCD31697553
IUPAC Name:
3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
InChI:
InChI=1S/C27H32O12/c1-27(2,35)9-8-14-16(37-26-23(34)21(32)19(30)17(11-28)38-26)10-15(29)18-20(31)22(33)24(39-25(14)18)12-4-6-13(36-3)7-5-12/h4-7,10,17,19,21,23,26,28-30,32-35H,8-9,11H2,1-3H3
InChI Key:
KKZRHUJZVYWXFJ-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2CCC(O)(C)C)oc(c(c3=O)O)c2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)O)O
