Melilotigenin B

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For Research Use Only.
Category
Terpenes
Cat.No.
NP6694
CAS
91269-84-0
Product Name
Melilotigenin B
Structure
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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