Scutebata A

Inquiry

For Research Use Only.

Category

Diterpenoids

Cat.No.

NP1295

CAS

1207181-57-4

Product Name

Scutebata A

Structure

Product Details

Description

Scutebata A is extracted from the herbs of Scutellaria barbata D.Don. It has weak cytotoxicity against SK-BR-3 with IC50 value of 15.2 muM.

Synonyms

[(1R,2S,3R,4S,4aS,8aR)-4-[(1S)-1-acetyloxy-2-(4-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-2-benzoyloxy-3-hydroxy-3,4,8,8a-tetramethyl-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] benzoate

IUPAC Name

[(1R,2S,3R,4S,4aS,8aR)-4-[(1S)-1-acetyloxy-2-(4-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-2-benzoyloxy-3-hydroxy-3,4,8,8a-tetramethyl-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] benzoate

Molecular Weight

632.70

Molecular Formula

C36H40O10

Canonical SMILES

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

InChI

InChI=1S/C36H40O10/c1-21-13-12-18-26-34(21,3)29(45-31(39)23-14-8-6-9-15-23)30(46-32(40)24-16-10-7-11-17-24)36(5,42)35(26,4)27(44-22(2)37)19-25-20-43-33(41)28(25)38/h6-11,13-17,26-27,29-30,38,42H,12,18-20H2,1-5H3/t26-,27-,29-,30-,34-,35-,36-/m0/s1

InChIKey

ZXHAGJNJHZQWGU-OZWIMJHESA-N

Boiling Point

782.5±60.0 °C(Predicted)

Purity

98.0%

Density

1.32±0.1 g/cm3(Predicted)

Appearance

Powder

Form

Oil