568-72-9
Product Name:
Tanshinone IIA
Formula:
C19H18O3
Synonyms:
1,6,6-Trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione;Dan Shen ketone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Color/Form | Red powder |
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Solubility | 5 mg/mL methanol |
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 | 164 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
Other Experimental Properties | Red powder; MW: 276.29; MF: C18H12O3; soluble at 5 mg/mL methanol/Tanshinone I (568-73-0)/ |
COMPUTED DESCRIPTORS
Molecular Weight | 294.3 g/mol |
---|---|
XLogP3 | 4.3 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 0 |
Exact Mass | 294.125594432 g/mol |
Monoisotopic Mass | 294.125594432 g/mol |
Topological Polar Surface Area | 47.3 Ų |
Heavy Atom Count | 22 |
Formal Charge | 0 |
Complexity | 509 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
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
1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g]benzofuran-10,11-dione is an abietane diterpenoid.