Description
IUPAC Name: [(2R,3S,4S,5R,6S)-6-[[(1S,4aS,5S,7S,7aR)-4a,5,7-trihydroxy-7-methyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate
InChI: InChI=1S/C24H30O11/c1-23(30)11-15(25)24(31)9-10-32-22(20(23)24)35-21-19(29)18(28)17(27)14(34-21)12-33-16(26)8-7-13-5-3-2-4-6-13/h2-10,14-15,17-22,25,27-31H,11-12H2,1H3/b8-7+/t14-,15+,17-,18+,19-,20-,21+,22+,23+,24-/m1/s1
InChIKey: KIYJOXJZHKKVBS-PIMRTDLFSA-N
Canonical SMILES: CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)COC(=O)C=CC4=CC=CC=C4)O)O)O)O)O)O
Isomeric SMILES: C[C@@]1(C[C@@H]([C@]2([C@@H]1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/C4=CC=CC=C4)O)O)O)O)O)O
Synonyms: 6′-O-cinnamoylharpagide; 6′-O-Cinnamoyl harpagide; 1245572-24-0; FS-8088; DA-60531; D85035; 6 inverted exclamation mark -O-cinnamoyl harpagide; [(2R,3S,4S,5R,6S)-6-[[(1S,4As,5S,7S,7aR)-4a,5,7-trihydroxy-7-methyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate
Botanical Source: Scrophularia ningpoensis Hemsl.