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Resiniferatoxin

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Resiniferatoxin / CAS : 57444-62-9

Appearance solid UN 2928
HS 29329990 DG Class 6.1
Synonyms Resiniferatoxin,4-Hydroxy-3-Methoxy-[(2S,3Ar,3Bs,6Ar,9Ar,9Br,10R,11Ar)-3A,3B,6,6A,9A,10,11,11A-Octahydro-6A-Hydroxy-8,10-Dimethyl-11A-(1-Methylethenyl)-7-Oxo-2-(Phenylmethyl)-7H-2,9B-Epoxyazuleno[5,4-E]-1,3-Benzodioxol-5-Yl]Benzeneacetate; Reciniferatoxin; Unii-A5O6P1Ul4I; Rtx
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Properties

Summary

Formula
C37H40O9
Molecular Mass
628.70800
Exact Mass
628.26700
PSA
120.75000
Logp
4.74470
IUPAC
[(1R,2R,6R,10S,11R,13S,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-3-methoxyphenyl)acetate
SMILES
C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5(CC(=C4)COC(=O)CC6=CC(=C(C=C6)O)OC)O)C)OC(O3)(O2)CC7=CC=CC=C7)C(=C)C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials
Plant and Other Extracts > Plant Extracts

Chemical and Physical Properties

Density
1.35g/cm3
Boiling Point
768.7ºC
Flash Point
240.3ºC
Appearance
solid
Acidity and Basicity
acidness

Export information

HS Code
29329990
Export Rebate
13%
UN No.
2928
DG-Class
6.1
Risk Code
R25-35
Safety Label
T

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