Pungiolide A

Sesquiterpenoids

NP5880

130395-54-9

Pungiolide A

Pungiolide A is a sesquiterpene lactone isolated from the aerial parts of Xanthium sibiricum.

Spiro[2H-cyclohepta[b]furan-3(3aH),6'(2'H)-furo[2',3':5,6]cyclohepta[1,2-b]pyran]-2,2'-dione, 7'-acetyl-3',3'a,4,4',4'a,7,8,8a,8'a,9',10',10'a-dodecahydro-8'a-hydroxy-7,9'-dimethyl-3'-methylene-6-[(1E)-3-oxo-1-butenyl]-, (3R,3aR,3'aR,4'aR,7R,8aS,8'aR,9'S,10'aR)-; Spiro[2H-cyclohepta[b]furan-3(3aH),6'(2'H)-furo[2',3':5,6]cyclohepta[1,2-b]pyran]-2,2'-dione, 7'-acetyl-3',3'a,4,4',4'a,7,8,8a,8'a,9',10',10'a-dodecahydro-8'a-hydroxy-7,9'-dimethyl-3'-methylene-6-(3-oxo-1-butenyl)-, [3'aR-[3'aα,4'aα,6'β[3aR*,6(E),7R*,8aS*],8'aβ,9'β,10'aα]]-; (3R,3aR,3a'R,4a'R,7R,8aS,8a'R,9'S,10a'R)-7'-acetyl-8a'-hydroxy-7,9'-dimethyl-3'-methylene-6-((E)-3-oxobut-1-en-1-yl)-3a,3',3a',4',4a',7,8,8a,8a',9',10',10a'-dodecahydro-2H,2'H,4H-spiro[cyclohepta[b]furan-3,6'-furo[2',3':5,6]cyclohepta[1,2-b]pyran]-2,2'-dione

(1'R,3R,3'R,3aR,7R,7'R,8aS,9'S,10'R)-12'-acetyl-10'-hydroxy-7,9'-dimethyl-4'-methylidene-6-[(E)-3-oxobut-1-enyl]spiro[4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-3,13'-6,14-dioxatricyclo[8.4.0.03,7]tetradec-11-ene]-2,5'-dione

510.58

C29H34O8

CC1CC2C(CC=C1C=CC(=O)C)C3(C(=CC4(C(CC5C(CC4O3)C(=C)C(=O)O5)C)O)C(=O)C)C(=O)O2

InChI=1S/C29H34O8/c1-14-10-24-21(9-8-19(14)7-6-16(3)30)29(27(33)36-24)22(18(5)31)13-28(34)15(2)11-23-20(12-25(28)37-29)17(4)26(32)35-23/h6-8,13-15,20-21,23-25,34H,4,9-12H2,1-3,5H3/b7-6+/t14-,15+,20-,21-,23-,24+,25-,28+,29-/m1/s1

BGZGKGJBTWDZQU-PKNRYQKPSA-N

769.0±60.0°C at 760 mmHg

≥95%

1.30±0.1 g/cm3

Soluble in Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate

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Store at -20°C

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1 mg