(-)-Praeruptorin A

For Research Use Only.
Category
Coumarins
Cat.No.
NP1080
CAS
14017-71-1
Product Name
(-)-Praeruptorin A
Structure

Product Details

Description
(-)-Praeruptorin A is a natural product found in Peucedanum japonicum and Prionosciadium thapsoides.
Synonyms
(9R,10R)-10-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-9-yl (Z)-2-methylbut-2-enoate; 2-Butenoic acid, 2-methyl-, (9R,10R)-10-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester, (2Z)-; 2-Butenoic acid, 2-methyl-, 10-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester, [9R-[9α(Z),10α]]-; 2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 9,10-dihydro-9β,10β-dihydroxy-8,8-dimethyl-, 10-acetate 9-(2-methylcrotonate), (Z)-; Crotonic acid, 2-methyl-, 9-ester with 9,10-dihydro-9β,10β-dihydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one 10-acetate, (Z)-; Isopteryxin; Peupraerin I
IUPAC Name
[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (Z)-2-methylbut-2-enoate
Molecular Weight
386.40
Molecular Formula
C21H22O7
Canonical SMILES
CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C
InChI
InChI=1S/C21H22O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19-/m1/s1
InChIKey
XGPBRZDOJDLKOT-YRCPKEQFSA-N
Boiling Point
486.8±45.0°C at 760 mmHg
Purity
≥95%
Density
1.28±0.1 g/cm3
Solubility
Soluble in Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate
Appearance
Powder
Storage
Store at -20°C
Form
Powder
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