Kihadanin A

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For Research Use Only.

Category

Triterpenoids

Cat.No.

NP7081

CAS

125276-62-2

Product Name

Kihadanin A

Structure

Product Details

Description

Kihadanin A is a natural compound isolated from the barks of Phellodendron amurense.

Synonyms

Obacunoic acid, 21,23-dihydro-21-hydroxy-23-oxo-, epsilon-lactone

IUPAC Name

(1R,2R,4S,7R,8S,11R,12R,18R)-7-(2-hydroxy-5-oxo-2H-furan-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,20-trione

Molecular Weight

486.517

Molecular Formula

C26H30O9

Canonical SMILES

CC1(C2CC(=O)C3(C(C2(C=CC(=O)O1)C)CCC4(C35C(O5)C(=O)OC4C6=CC(=O)OC6O)C)C)C

InChI

InChI=1S/C26H30O9/c1-22(2)14-11-15(27)25(5)13(23(14,3)8-7-16(28)34-22)6-9-24(4)18(12-10-17(29)32-20(12)30)33-21(31)19-26(24,25)35-19/h7-8,10,13-14,18-20,30H,6,9,11H2,1-5H3/t13-,14+,18+,19-,20?,23-,24+,25+,26-/m1/s1

InChIKey

DZWMSKKYNYZQTC-AJLFSXDCSA-N

Purity

97.5%

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