Description
IUPAC Name: [(2R,3R,4R,5R)-1,2,5-trihydroxy-6-oxo-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI: InChI=1S/C21H28O13/c1-9-16(29)17(30)18(31)21(32-9)34-20(14(27)8-23)19(13(26)7-22)33-15(28)5-3-10-2-4-11(24)12(25)6-10/h2-6,8-9,13-14,16-22,24-27,29-31H,7H2,1H3/b5-3+/t9-,13+,14-,16-,17+,18+,19+,20+,21-/m0/s1
InChIKey: KARNWFDIYRKBOE-BHSPTIPFSA-N
Canonical SMILES: CC1C(C(C(C(O1)OC(C(C=O)O)C(C(CO)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O)O
Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]([C@H](C=O)O)[C@@H]([C@@H](CO)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O)O
Synonyms: Cistanoside F; 97411-47-7; HY-N4220; AKOS037515304; DA-51936; MS-29072; CS-0032456; D85085
Botanical Source: Cistanches herba