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1802-12-6

1802-12-6 structural image
Product Name: Phytolaccagenin
Formula: C31H48O7
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral

COMPUTED DESCRIPTORS

Molecular Weight 532.7 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 4
Exact Mass 532.34000387 g/mol
Monoisotopic Mass 532.34000387 g/mol
Topological Polar Surface Area 124 Ų
Heavy Atom Count 38
Formal Charge 0
Complexity 1050
Isotope Atom Count 0
Defined Atom Stereocenter Count 11
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Phytolaccagenin is a natural product found in Anisomeria coriacea, Phytolacca dodecandra, and other organisms with data available.