14-Deoxy-ε-caesalpin

Inquiry

For Research Use Only.

Category

Diterpenoids

Cat.No.

NP1224

CAS

279683-46-4

Product Name

14-Deoxy-ε-caesalpin

Structure

Product Details

Description

14-Deoxy-ε-caesalpin is a natural diterpenoid compound found in several plants.

Synonyms

14-deoxycaesalpin;14-Deoxy-epsilon-caesalpin

IUPAC Name

[(1R,2S,4aR,6aS,7R,11aS,11bS)-1-acetyloxy-4a-hydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-2-yl] acetate

Molecular Weight

418.52

Molecular Formula

C24H34O6

Canonical SMILES

CC1C2CCC3(C(CC(C(C3(C2CC4=C1C=CO4)C)OC(=O)C)OC(=O)C)(C)C)O

InChI

InChI=1S/C24H34O6/c1-13-16-7-9-24(27)22(4,5)12-20(29-14(2)25)21(30-15(3)26)23(24,6)18(16)11-19-17(13)8-10-28-19/h8,10,13,16,18,20-21,27H,7,9,11-12H2,1-6H3/t13-,16+,18+,20+,21+,23+,24-/m1/s1

InChIKey

JMOFRLILFOJJEZ-ZWZFWQKWSA-N

Boiling Point

487.0±45.0 °C(Predicted)

Purity

>95%

Density

1.2±0.1 g/cm3

Appearance

Powder

Form

Powder

pKa

14.14±0.70(Predicted)

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