Monohydroxyisoaflavinine

Inquiry

For Research Use Only.

Category

Diterpenoids

Cat.No.

NP1343

CAS

116865-09-9

Product Name

Monohydroxyisoaflavinine

Structure

Product Details

Description

Monohydroxyisoaflavinine is a metabolite of Aspergillus flavus. It was detected in the sclerotia of A. flavus.

Synonyms

24,25-Dehydro-10,11-dihydro-20-hydroxyaflavinine; 1H-Benzo[d]naphthalene-1,5-diol, dodecahydro-8-(1H-indol-3-yl)-4,4a,7-trimethyl-9-(1-methylethenyl)-, (1α,4α,4aα,5β,7α,7aβ,8α,9β,11aR*)-(+)-

IUPAC Name

(1S,4R,4aS,5R,7R,7aS,8S,9R,11aS)-8-(1H-indol-3-yl)-4,4a,7-trimethyl-9-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,8,9,10,11-dodecahydrobenzo[d]naphthalene-1,5-diol

Molecular Weight

421.62

Molecular Formula

C28H39NO2

Canonical SMILES

CC1CCC(C23C1(C(CC(C2C(C(CC3)C(=C)C)C4=CNC5=CC=CC=C54)C)O)C)O

InChI

InChI=1S/C28H39NO2/c1-16(2)19-12-13-28-23(30)11-10-18(4)27(28,5)24(31)14-17(3)26(28)25(19)21-15-29-22-9-7-6-8-20(21)22/h6-9,15,17-19,23-26,29-31H,1,10-14H2,2-5H3/t17-,18-,19+,23+,24-,25-,26+,27-,28+/m1/s1

InChIKey

KHMAONVROPNUDX-PHLGNYFESA-N

Boiling Point

594.3±50.0°C (Predicted)

Melting Point

146-148°C

Purity

≥98%

Density

1.14±0.1 g/cm3 (Predicted)

Solubility

Soluble in Methanol

Appearance

Powder

Storage

Store at -20°C

Color

Off-White to Beige

Form

Powder

Products

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