Cornuside

CAS

131189-57-6

Catalog Number

ACM131189576

Category

Other Products

Molecular Weight

542.49

Molecular Formula

C34H50O20

MSDS COA Spec Sheet

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Specification

Synonyms

7-O-Galloylsecologanol

IUPAC Name

Methyl (2S,3R,4S)-3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

Canonical SMILES

COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CCOC(=O)C2=CC(=C(C(=C2)O)O)O)C=C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

InChI

InChI=1S/C24H30O14/c1-3-11-12(4-5-35-21(32)10-6-14(26)17(28)15(27)7-10)13(22(33)34-2)9-36-23(11)38-24-20(31)19(30)18(29)16(8-25)37-24/h3,6-7,9,11-12,16,18-20,23-31H,1,4-5,8H2,2H3/t11-,12+,16-,18-,19+,20-,23+,24+/m1/s1

InChI Key

SMTKSCGLXONVGL-UPIRYGIPSA-N

Boiling Point

817.6±65.0 °C

Density

1.58±0.1 g/ml

Appearance

Powder

pKa

7.90±0.25