10-O-Caffeoyl-6-Epiferetoside

CAS	83348-22-5
Synonyms	10-O-Caffeoyl deacetyldaphylloside
IUPAC Name	methyl (1R,4aR,5R,7aR)-7-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Molecular Weight	566.51
Molecular Formula	C26H30O14
Canonical SMILES	COC(=O)C1=CO[C@@H]([C@@H]2[C@H]1[C@@H](C=C2COC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI	InChI=1S/C26H30O14/c1-36-24(35)13-10-38-25(40-26-23(34)22(33)21(32)17(8-27)39-26)19-12(7-16(30)20(13)19)9-37-18(31)5-3-11-2-4-14(28)15(29)6-11/h2-7,10,16-17,19-23,25-30,32-34H,8-9H2,1H3/b5-3+/t16-,17-,19+,20-,21-,22+,23-,25-,26+/m1/s1
InChI Key	LLNDGETZUXLFQJ-GEIFZCKHSA-N
Purity	98%
Appearance	Solid