6-O-Nicotinoylbarbatin C

Inquiry

For Research Use Only.

Category

Diterpenoids

Cat.No.

NP1744

CAS

1015776-92-7

Product Name

6-O-Nicotinoylbarbatin C

Structure

Product Details

Description

6-O-Nicotinoylbarbatin C is extracted from the herb of Scutellaria barbata D. Don. It is used as a reference standard.

Synonyms

3-Pyridinecarboxylicacid,(1R,2S,3R,4R,4aS,8aR)-4-[(1E)-2-(2,5-dihydro-5-oxo-3-furanyl)ethenyl]-1,2,3,4,4a,5,6,8a-octahydro-2,3-dihydroxy-3,4,8,8a-tetramethyl-1-naphthalenylester; [(1R,2S,3R,4R,4aS,8aR)-2,3-dihydroxy-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

IUPAC Name

[(1R,2S,3R,4R,4aS,8aR)-2,3-dihydroxy-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

453.53

Molecular Formula

C26H31NO6

Canonical SMILES

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

InChI

InChI=1S/C26H31NO6/c1-16-7-5-9-19-24(2,11-10-17-13-20(28)32-15-17)26(4,31)21(29)22(25(16,19)3)33-23(30)18-8-6-12-27-14-18/h6-8,10-14,19,21-22,29,31H,5,9,15H2,1-4H3/b11-10+/t19-,21+,22+,24-,25+,26+/m1/s1

InChIKey

BWDKUBKSGGMGOD-GLTZHHDWSA-N

Appearance

Oil

Color

Yellow

Form

Powder

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