Perforatumone

Inquiry

For Research Use Only.

Category

Other NPs

Cat.No.

NP4369

CAS

827319-50-6

Product Name

Perforatumone

Structure

Product Details

Description

Perforatumone can be isolated from Hypericum henryi and it was shown to inhibit acetylcholinesterase and human tumor cell lines.

Synonyms

(1R,3S,4R,5R,6S)-4-methyl-1,3,6-tris(3-methylbut-2-enyl)-5-(3-methyl-2-oxobutanoyl)-4-(4-methylpent-3-enyl)-7-oxabicyclo[4.2.1]nonane-8,9-dione

IUPAC Name

4-methyl-1,3,6-tris(3-methylbut-2-enyl)-5-(3-methyl-2-oxobutanoyl)-4-(4-methylpent-3-enyl)-7-oxabicyclo[4.2.1]nonane-8,9-dione

Molecular Weight

552.796

Molecular Formula

C35H52O5

Canonical SMILES

CC(C)C(=O)C(=O)C1C(C(CC2(C(=O)C1(OC2=O)CC=C(C)C)CC=C(C)C)CC=C(C)C)(C)CCC=C(C)C

InChI

InChI=1S/C35H52O5/c1-22(2)13-12-18-33(11)27(15-14-23(3)4)21-34(19-16-24(5)6)31(38)35(40-32(34)39,20-17-25(7)8)30(33)29(37)28(36)26(9)10/h13-14,16-17,26-27,30H,12,15,18-21H2,1-11H3/t27-,30+,33+,34+,35-/m0/s1

InChIKey

MDEFUUIAPRQDDQ-AWJYBGKTSA-N

Appearance

Oil

Form

Oil

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