10-O-Vanilloylaucubin

CAS	193969-08-3
Synonyms	β-D-Glucopyranoside, (1S,4aR,5S,7aS)-1,4a,5,7a-tetrahydro-5-hydroxy-7-[[(4-hydroxy-3-methoxybenzoyl)oxy]methyl]cyclopenta[c]pyran-1-yl
IUPAC Name	[(1S,4aR,5S,7aS)-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-7-yl]methyl 4-hydroxy-3-methoxybenzoate
Molecular Weight	496.46
Molecular Formula	C23H28O12
Canonical SMILES	COC1=C(C=CC(=C1)C(=O)OCC2=C[C@H]([C@H]3[C@@H]2[C@@H](OC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
InChI	InChI=1S/C23H28O12/c1-31-15-7-10(2-3-13(15)25)21(30)33-9-11-6-14(26)12-4-5-32-22(17(11)12)35-23-20(29)19(28)18(27)16(8-24)34-23/h2-7,12,14,16-20,22-29H,8-9H2,1H3/t12-,14+,16+,17+,18+,19-,20+,22-,23-/m0/s1
InChI Key	VTYVNBXSLBXSGD-IFWLTBFJSA-N
Purity	98%
Appearance	Solid