Catalog Number:
AG0010DQ
Chemical Name:
Naringin hydrate
CAS Number:
132203-74-8
Molecular Formula:
C27H32O14
Molecular Weight:
580.5346
MDL Number:
MFCD00148888
IUPAC Name:
(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;hydrate
InChI:
InChI=1S/C27H32O14.H2O/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11;/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3;1H2/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+;/m0./s1
InChI Key:
CPNHAWBPPPWRLN-OSSFAINNSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](CC3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
