6-O-Benzoylphlorigidoside B

For Research Use Only.
Category
Iridoid derivatives
Cat.No.
NP3786
CAS
1246012-24-7
Product Name
6-O-Benzoylphlorigidoside B
Structure

Product Details

Description
6-O-Benzoylphlorigidoside B is a natural iridoid isolated from the herbs of Callicarpa formosana.
Synonyms
Methyl (1S,4aR,5R,7S,7aS)-7-acetoxy-5-(benzoyloxy)-1-(β-D-glucopy ranosyloxy)-4a-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta [c]pyran-4-carboxylate
IUPAC Name
methyl (1S,4aR,5R,7S,7aS)-7-acetyloxy-5-benzoyloxy-4a-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Molecular Weight
568.5
Molecular Formula
C26H32O14
Canonical SMILES
CC(=O)OC1(CC(C2(C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)OC(=O)C4=CC=CC=C4)C
InChI
InChI=1S/C26H32O14/c1-12(28)40-25(2)9-16(38-21(32)13-7-5-4-6-8-13)26(34)14(22(33)35-3)11-36-24(20(25)26)39-23-19(31)18(30)17(29)15(10-27)37-23/h4-8,11,15-20,23-24,27,29-31,34H,9-10H2,1-3H3/t15-,16-,17-,18+,19-,20-,23+,24+,25+,26-/m1/s1
InChIKey
BESOZWLCVNXHPJ-IXBILFTQSA-N
Boiling Point
730.5±60.0°C (Predicted)
Purity
>95%
Density
1.52±0.1 g/cm3(Predicted)
Appearance
Oil
pKa
10.77±0.70(Predicted)
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