Scoparinol

Inquiry

For Research Use Only.

Category

Diterpenoids

Cat.No.

NP1671

CAS

130838-00-5

Product Name

Scoparinol

Structure

Product Details

Description

Scoparinol isolated from the herb of Scoparia dulcis.

Synonyms

(1R,4S,4aR,8R,8aR)-8-(Hydroxymethyl)-4-[(3E)-5-hydroxy-3-methyl-3 -penten-1-yl]-4a,8-dimethyl-3-methylenedecahydro-1-naphthalenyl b enzoate

IUPAC Name

[(1R,4S,4aR,8R,8aR)-8-(hydroxymethyl)-4-[(E)-5-hydroxy-3-methylpent-3-enyl]-4a,8-dimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] benzoate

Molecular Weight

426.6

Molecular Formula

C27H38O4

Canonical SMILES

CC(=CCO)CCC1C(=C)CC(C2C1(CCCC2(C)CO)C)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H38O4/c1-19(13-16-28)11-12-22-20(2)17-23(31-25(30)21-9-6-5-7-10-21)24-26(3,18-29)14-8-15-27(22,24)4/h5-7,9-10,13,22-24,28-29H,2,8,11-12,14-18H2,1,3-4H3/b19-13+/t22-,23+,24-,26-,27+/m0/s1

InChIKey

WGSYIFPPMZUQAN-IZCLTQQPSA-N

Boiling Point

544.3±30.0 °C(Predicted)

Purity

> 95%

Density

1.11±0.1 g/cm3(Predicted)

Appearance

Powder

Application

anti-inflammatory; diuretic; analgesic;

Form

Powder

pKa

14.44±0.10(Predicted)

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