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87205-99-0

87205-99-0 structural image
Product Name: Dihydrotanshinone I
Formula: C18H14O3
Synonyms: (-)-Dihydrotanshinone I;15,16-Dihydrotanshinone I;Dihydrotanshinone I
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form Red powder
Solubility In ethanol, 1 mg/mL, clear orange to red
Stability/Shelf Life Stable under recommended storage conditions.
Decomposition Hazardous decomposition products formed under fire conditions. - Carbon oxides Other decomposition products - no data available
Collision Cross Section 159.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H400:Hazardous to the aquatic environment, acute hazard
Precautionary Statement Codes P273:Avoid release to the environment.

COMPUTED DESCRIPTORS

Molecular Weight 278.3 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 278.094294304 g/mol
Monoisotopic Mass 278.094294304 g/mol
Topological Polar Surface Area 43.4 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 533
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
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

Dihydrotanshinone I is an abietane diterpenoid. It has a role as an anticoronaviral agent.