Scutebarbatine B

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For Research Use Only.

Size	Price	Stock	Quantity
1 mg	$519	In stock

Category

Diterpenoids

Cat.No.

NP1245

CAS

905929-95-5

Product Name

Scutebarbatine B

Structure

Product Details

Description

Scutebarbatine B, a natural diterpenoid isolated from the herbs of Scutellaria barbata D. Don, plays weak activities against HL60 cell lines.

Synonyms

Scutebarbatine B; 905929-95-5; [(1R,2S,3R,4R,4aS,8aR)-2-benzoyloxy-3-hydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] pyridine-3-carboxylate; CHEMBL3933122; HY-N1261

IUPAC Name

[(1R,2S,3R,4R,4aS,8aR)-2-benzoyloxy-3-hydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] pyridine-3-carboxylate

Molecular Weight

557.6

Molecular Formula

C33H35NO7

Canonical SMILES

CC1=CCCC2C1(C(C(C(C2(C)C=CC3=CC(=O)OC3)(C)O)OC(=O)C4=CC=CC=C4)OC(=O)C5=CN=CC=C5)C

InChI

InChI=1S/C33H35NO7/c1-21-10-8-14-25-31(2,16-15-22-18-26(35)39-20-22)33(4,38)28(41-29(36)23-11-6-5-7-12-23)27(32(21,25)3)40-30(37)24-13-9-17-34-19-24/h5-7,9-13,15-19,25,27-28,38H,8,14,20H2,1-4H3/b16-15+/t25-,27+,28+,31-,32+,33+/m1/s1

InChIKey

QSKVSBUCFQUTSW-IWSWVWQKSA-N

Boiling Point

726.8±60.0 °C(Predicted)

Melting Point

151-153 °C

Purity

>98%

Density

1.29±0.1 g/cm3(Predicted)

Appearance

Powder

Form

Powder

Packaging

1 mg

pKa

13.26±0.70(Predicted)

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