Melilotigenin B

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For Research Use Only.

Category

Terpenes

Cat.No.

NP6694

CAS

91269-84-0

Product Name

Melilotigenin B

Structure

Product Details

Description

Melilotigenin B is a natural triterpenoid found in the herbs of Pueraria lobata.

Synonyms

24-Hydroxyolean-12-ene-3,22-dione;Melilotigenin B;(4beta)-23-Hydroxyolean-12-ene-3,22-dione

IUPAC Name

(4S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,4a,5,6,7,8,10,12,12a,14,14a-dodecahydropicene-3,9-dione

Molecular Weight

454.7

Molecular Formula

C30H46O3

Canonical SMILES

CC1(CC2C3=CCC4C5(CCC(=O)C(C5CCC4(C3(CCC2(C(=O)C1)C)C)C)(C)CO)C)C

InChI

InChI=1S/C30H46O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-22,31H,9-18H2,1-7H3/t20-,21+,22+,26+,27-,28+,29+,30+/m0/s1

Boiling Point

552.8±50.0 °C(Predicted)

Purity

>95%

Density

1.09±0.1 g/cm3(Predicted)

Appearance

Powder

pKa

14.30±0.10(Predicted)

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