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70694-08-5

70694-08-5 structural image
Product Name: capsimycin
Formula: C30H40N2O6
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 524.6 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 524.28863700 g/mol
Monoisotopic Mass 524.28863700 g/mol
Topological Polar Surface Area 117 Ų
Heavy Atom Count 38
Formal Charge 0
Complexity 1100
Isotope Atom Count 0
Defined Atom Stereocenter Count 11
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 1
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(3Z,5S,7R,8R,10R,11R,12R,13R,15S,16R,17S,19Z,26S)-2-hydroxy-11-(1-methoxyethyl)-10-methyl-14-oxa-22,27-diazahexacyclo[24.2.1.05,17.07,16.08,12.013,15]nonacosa-1,3,19-triene-21,28,29-trione is a natural product found in Streptomyces xiamenensis with data available.