2,3-Dihydroxypterodontic acid

Inquiry

For Research Use Only.

Category

Sesquiterpene

Cat.No.

NP5584

CAS

185821-32-3

Product Name

2,3-Dihydroxypterodontic acid

Structure

Description

2,3-Dihydroxypterodontic acid isolated from the herbs of Laggera pterodonta (DC.) Benth.

Synonyms

2alpha,3beta-Dihydroxypterodontic acid; 2-[(2R,4aS,6R,7R,8R)-6,7-Dihydroxy-4a,8-dimethyl-2,3,4,4a,5,6,7,8 -octahydro-2-naphthalenyl]acrylic acid

IUPAC Name

2-[(2R,4aS,6R,7R,8R)-6,7-dihydroxy-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]prop-2-enoic acid

Molecular Weight

266.3

Molecular Formula

C15H22O4

Canonical SMILES

CC1C(C(CC2(C1=CC(CC2)C(=C)C(=O)O)C)O)O

InChI

InChI=1S/C15H22O4/c1-8(14(18)19)10-4-5-15(3)7-12(16)13(17)9(2)11(15)6-10/h6,9-10,12-13,16-17H,1,4-5,7H2,2-3H3,(H,18,19)/t9-,10-,12-,13-,15+/m1/s1

Boiling Point

445.3±45.0 °C(Predicted)

Purity

0.975

Density

1.21±0.1 g/cm3(Predicted)

Appearance

Cryst.

pKa

4.21±0.11(Predicted)

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