8-Hydroxyhyperforin 8,1-hemiacetal

Inquiry

For Research Use Only.

Category

Other NPs

Cat.No.

NP4245

CAS

59014-02-7

Product Name

8-Hydroxyhyperforin 8,1-hemiacetal

Structure

Product Details

Description

8-Hydroxyhyperforin 8,1-hemiacetal isolated from the herbs of Hypericum perforatum.

Synonyms

(1R,3R,4R,5S,7R)-8-Hydroxy-3-isobutyryl-4-methyl-1,5,7-tris(3-methyl-2-buten-1-yl)-4-(4-methyl-3-penten-1-yl)-9-oxatricyclo[5.2.1.03,8]decane-2,10-dione

IUPAC Name

(1R,3R,4R,5S,7R,8S)-8-hydroxy-4-methyl-1,5,7-tris(3-methylbut-2-enyl)-4-(4-methylpent-3-enyl)-3-(2-methylpropanoyl)-9-oxatricyclo[5.2.1.03,8]decane-2,10-dione

Molecular Weight

552.8

Molecular Formula

C35H52O5

Canonical SMILES

CC(C)C(=O)C12C(=O)C3(C(=O)C(C1(O3)O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)CC=C(C)C

InChI

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

InChIKey

IFUPNXPBDBNEAO-GAONCQJMSA-N

Purity

> 95%

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