27-Hydroxymangiferonic acid

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For Research Use Only.

Category

Terpenes

Cat.No.

NP6892

CAS

5132-66-1

Product Name

27-Hydroxymangiferonic acid

Structure

Product Details

Description

27-Hydroxymangiferonic acid is a natural triterpenoid found in the herbs of Mangifera indica.

Synonyms

1-(2-Chloroethyl)-3-(hydroxymethyl)-5-methoxy-2,6-dimethyl-1H-ind ole-4,7-dione

IUPAC Name

(E,6R)-2-(hydroxymethyl)-6-[(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hept-2-enoic acid

Molecular Weight

470.69

Molecular Formula

C30H46O4

Canonical SMILES

CC(CCC=C(CO)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C

InChI

InChI=1S/C30H46O4/c1-19(7-6-8-20(17-31)25(33)34)21-11-13-28(5)23-10-9-22-26(2,3)24(32)12-14-29(22)18-30(23,29)16-15-27(21,28)4/h8,19,21-23,31H,6-7,9-18H2,1-5H3,(H,33,34)/b20-8+/t19-,21-,22+,23+,27-,28+,29-,30+/m1/s1

InChIKey

VEPCBVRKVVOSDM-KCHVJCDVSA-N

Boiling Point

615.6±35.0 °C(Predicted)

Melting Point

190-192 °C

Purity

>98%

Density

1.14±0.1 g/cm3(Predicted)

Appearance

Powder

pKa

4.25±0.19(Predicted)

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