β-Aflatrem

Inquiry
For Research Use Only.
Category
Diterpenoids
Cat.No.
NP1577
CAS
144446-23-1
Product Name
β-Aflatrem
Structure

Product Details

Description
β-Aflatrem is a class of structurally-diverse secondary metabolites isolated from Aspergillus flavus. It is a mycotoxin that exhibits insecticidal activity.
Synonyms
Aflatrem B; Beta-Aflatrem; 4H-3,15a-Epoxy-1-benzoxepino(6',7':6,7)indeno(1,2-b)indol-4-one, 10-(1,1-dimethyl-2-propenyl)-2,3,5b,6,7,7a,8,13,13b,13c,14,15-dodecahydro-5b-hydroxy-2,2,13b,13c-tetramethyl-, (3alpha,5balpha,7abeta,13balpha,13cbeta,15aalpha)-(+)-
IUPAC Name
(1S,4R,5S,16S,19S,23R)-19-hydroxy-4,5,24,24-tetramethyl-11-(2-methylbut-3-en-2-yl)-25,26-dioxa-7-azaheptacyclo[21.2.1.01,20.04,19.05,16.06,14.08,13]hexacosa-6(14),8(13),9,11,20-pentaen-22-one
Molecular Weight
501.66
Molecular Formula
C32H39NO4
Canonical SMILES
CC1(C2C(=O)C=C3C4(CCC5CC6=C(C5(C4(CCC3(O2)O1)C)C)NC7=C6C=C(C=C7)C(C)(C)C=C)O)C
InChI
InChI=1S/C32H39NO4/c1-8-27(2,3)18-9-10-22-20(15-18)21-16-19-11-12-31(35)24-17-23(34)26-28(4,5)37-32(24,36-26)14-13-29(31,6)30(19,7)25(21)33-22/h8-10,15,17,19,26,33,35H,1,11-14,16H2,2-7H3/t19-,26-,29+,30+,31+,32-/m0/s1
InChIKey
ONMXSHAELZXSPO-SDPXOEJRSA-N
Boiling Point
663.6±55.0°C at 760 mmHg
Melting Point
188-190°C
Purity
≥98%
Density
1.3±0.1 g/cm3
Solubility
Soluble in Chloroform, Methanol
Appearance
Yellow Crystal
Storage
Store at -20°C
Form
Powder
Packaging
1 mg
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