6-O-p-Hydroxybenzoylaucubin

Inquiry

For Research Use Only.

Category

Iridoid derivatives

Cat.No.

NP3740

CAS

1016987-87-3

Product Name

6-O-p-Hydroxybenzoylaucubin

Structure

Product Details

Description

6-O-p-Hydroxybenzoylaucubin can be found in the fruits of Crescentia cujete.

Synonyms

Derwentioside B

IUPAC Name

[(1S,4aR,5S,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-yl] 4-hydroxybenzoate

Molecular Weight

466.4

Molecular Formula

C22H26O11

Canonical SMILES

C1=COC(C2C1C(C=C2CO)OC(=O)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O

InChI

InChI=1S/C22H26O11/c23-8-11-7-14(31-20(29)10-1-3-12(25)4-2-10)13-5-6-30-21(16(11)13)33-22-19(28)18(27)17(26)15(9-24)32-22/h1-7,13-19,21-28H,8-9H2/t13-,14+,15+,16+,17+,18-,19+,21-,22-/m0/s1

Purity

>98%

Appearance

Powder

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