3,5,7,15-Tetraacetoxy-9-nicotinoyloxy-6(17),11-jatrophadien-14-one

Inquiry

For Research Use Only.

Category

Diterpenoids

Cat.No.

NP1736

CAS

244277-75-6

Product Name

3,5,7,15-Tetraacetoxy-9-nicotinoyloxy-6(17),11-jatrophadien-14-one

Structure

Product Details

Description

3,5,7,15-Tetraacetoxy-9-
nicotinoyloxy-6(17),11-jatrophadien-14-one isolated from Euphorbia

Synonyms

(1S,2S,3aR,5R,9R,11R,13R,13aR,E)-2,5,8,8-tetramethyl-12-methylene-9-(nicotinoyloxy)-4-oxo-1,2,3,4,5,8,9,10,11,12,13,13a-dodecahydro-3aH-cyclopenta[12]annulene-1,3a,11,13-tetrayl tetraacetate

IUPAC Name

[(1S,2S,3aR,5R,6E,9R,11R,13R,13aR)-1,3a,11,13-tetraacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-9-yl] pyridine-3-carboxylate

Molecular Weight

641.705

Molecular Formula

C34H43NO11

Canonical SMILES

CC1CC2(C(C1OC(=O)C)C(C(=C)C(CC(C(C=CC(C2=O)C)(C)C)OC(=O)C3=CN=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C34H43NO11/c1-18-12-13-33(8,9)27(45-32(41)25-11-10-14-35-17-25)15-26(42-21(4)36)20(3)30(44-23(6)38)28-29(43-22(5)37)19(2)16-34(28,31(18)40)46-24(7)39/h10-14,17-19,26-30H,3,15-16H2,1-2,4-9H3/b13-12+/t18-,19+,26-,27-,28-,29+,30+,34-/m1/s1

InChIKey

TXGHOMTZFCIHDL-JLACXKQRSA-N

Purity

0.97

Density

1.2±0.1 g/cm3

Appearance

Powder

Color

Yellow

Form

Powder

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