Scutebarbatine A

For Research Use Only.
Category
Diterpenoids
Cat.No.
NP1246
CAS
176520-13-1
Product Name
Scutebarbatine A
Structure

Product Details

Description
Scutebarbatine A, a natural diterpenoid isolated from the herbs of Scutellaria barbata D. Don, exhibits the activity of anti-tumor via mitochondria-mediated apoptosis on A549 cancer.
Synonyms
(1R,2S,3R,4R,4aS,8aR)-3-Hydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5- oxo-2,5-dihydro-3-furanyl)vinyl]-1,2,3,4,4a,5,6,8a-octahydronapht halene-1,2-diyl dinicotinate
IUPAC Name
[(1R,2S,3R,4R,4aS,8aR)-3-hydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-2-(pyridine-3-carbonyloxy)-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] pyridine-3-carboxylate
Molecular Weight
558.6
Molecular Formula
C32H34N2O7
Canonical SMILES
CC1=CCCC2C1(C(C(C(C2(C)C=CC3=CC(=O)OC3)(C)O)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)C
InChI
InChI=1S/C32H34N2O7/c1-20-8-5-11-24-30(2,13-12-21-16-25(35)39-19-21)32(4,38)27(41-29(37)23-10-7-15-34-18-23)26(31(20,24)3)40-28(36)22-9-6-14-33-17-22/h6-10,12-18,24,26-27,38H,5,11,19H2,1-4H3/b13-12+/t24-,26+,27+,30-,31+,32+/m1/s1
InChIKey
CFCKNUOZCOKYOO-JUJIBZTHSA-N
Boiling Point
742.1±60.0 °C(Predicted)
Purity
>96%
Density
1.31±0.1 g/cm3(Predicted)
Appearance
Powder
Application
anti-tumor
EINECS
200-258-5
Form
Powder
Packaging
1 mg
pKa
13.04±0.70(Predicted)
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