4',4''-Dihydroxyanigorootin

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For Research Use Only.

Category

Phenols

Cat.No.

NP4689

CAS

448949-11-9

Product Name

4',4''-Dihydroxyanigorootin

Structure

Product Details

Description

4',4''-Dihydroxyanigorootin is a natural phenolic compound found in several plants.

Synonyms

(6aR,13aR,14dR,14eR)-rel-6a,13a,14d,14e-Tetrahydro-6a,13a-dihydroxy-1,8-bis(4-hydroxyphenyl)naphtho[8,1,2-hij]naphtho[8',1',2':7,8,1][2]benzopyrano[5,4,3-cde][2]benzopyran-7,14-dione

IUPAC Name

(1S,13S,14S,26S)-1,14-dihydroxy-9,22-bis(4-hydroxyphenyl)-2,15-dioxaoctacyclo[21.3.1.110,14.03,12.06,11.013,26.016,25.019,24]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaene-27,28-dione

Molecular Weight

606.58

Molecular Formula

C38H22O8

Canonical SMILES

C1=CC(=C2C3=C1C=CC4=C3C5C6C7=C(C=CC8=C7C(=C(C=C8)C9=CC=C(C=C9)O)C(=O)C6(O4)O)OC5(C2=O)O)C1=CC=C(C=C1)O

InChI

InChI=1S/C38H22O8/c39-21-9-1-17(2-10-21)23-13-5-19-7-15-25-31-27(19)29(23)35(41)37(43)33(31)34-32-26(45-37)16-8-20-6-14-24(18-3-11-22(40)12-4-18)30(28(20)32)36(42)38(34,44)46-25/h1-16,33-34,39-40,43-44H/t33-,34-,37+,38+/m1/s1

InChIKey

MQHLUOTXEDJGPU-HVYOWVPISA-N

Purity

>95%

Density

1.7±0.1 g/cm3

Appearance

Yellow powder

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