Scutebata B

Inquiry

For Research Use Only.

Category

Diterpenoids

Cat.No.

NP1293

CAS

1207181-58-5

Product Name

Scutebata B

Structure

Product Details

Description

Scutebata B is a natrual diterpenoid found in the herbs of Scutellaria barbata D.Don

Synonyms

Scutebata B; 1207181-58-5; [(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] pyridine-3-carboxylate; CHEMBL3964728; C35H39NO10

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] pyridine-3-carboxylate

Molecular Weight

633.7

Molecular Formula

C35H39NO10

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=CN=CC=C5)C

InChI

InChI=1S/C35H39NO10/c1-20-11-9-15-25-33(20,3)28(45-31(40)23-14-10-16-36-18-23)29(46-30(39)22-12-7-6-8-13-22)35(5,42)34(25,4)26(44-21(2)37)17-24-19-43-32(41)27(24)38/h6-8,10-14,16,18,25-26,28-29,38,42H,9,15,17,19H2,1-5H3/t25-,26-,28-,29-,33-,34-,35-/m0/s1

Boiling Point

797.3±60.0 °C(Predicted)

Purity

>95%

Density

1.34±0.1 g/cm3(Predicted)

Appearance

Powder

Form

Powder

pKa

9.09±0.20(Predicted)