β-Dihydroplumericinic acid

Inquiry

For Research Use Only.

Category

Iridoids

Cat.No.

NP3911

CAS

59204-61-4

Product Name

β-Dihydroplumericinic acid

Structure

Description

β-Dihydroplumericinic acid isolated from the herbs of Plumeria rubra.

Synonyms

(3S,3aR,4aR,7aS,9aS,9bS)-3-Ethyl-2-oxo-3,3a,7a,9b-tetrahydro-2H,4 aH-1,4,5-trioxadicyclopenta[a,hi]indene-7-carboxylic acid

IUPAC Name

(1S,4S,8R,10R,11S,14S)-11-ethyl-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylic acid

Molecular Weight

278.3

Molecular Formula

C14H14O6

Canonical SMILES

CCC1C2C3(C=CC4C3C(O2)OC=C4C(=O)O)OC1=O

InChI

InChI=1S/C14H14O6/c1-2-6-10-14(20-12(6)17)4-3-7-8(11(15)16)5-18-13(19-10)9(7)14/h3-7,9-10,13H,2H2,1H3,(H,15,16)/t6-,7+,9+,10+,13+,14-/m0/s1

InChIKey

GRJLGDWPUYQSHL-DQDOGHDOSA-N

Boiling Point

529.5±50.0°C (Predicted)

Melting Point

189-190°C (decomp)

Purity

> 95%

Density

1.50±0.1 g/cm3(Predicted)

Appearance

Powder

pKa

4.15±0.40(Predicted)

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