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Neocryptotanshinone

CAT: 0013-GTR19183276-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183276-02Size:5 mg
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Description
Neocryptotanshinone
CAS Number
109664-02-0
Product Name Alternative
Neocryptotanshinone
Field of Research
Immunology & Inflammation, Signal Transduction
Purity
98.99% (May vary between batches)
Solubility
DMSO:80 mg/mL (254.47 mM) ;10% DMSO+40% PEG300+5% Tween-80+45% Saline:3.3 mg/mL (10.5 mM)
Smiles
C[C@@H] (CO) C1=C (O) C (=O) c2c3CCCC (C) (C) c3ccc2C1=O
Molecular Formula
C19H22O4
Molecular Weight
314.38
Storage Conditions
Keep away from direct sunlight | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

1-hydroxy-2-((2R)-1-hydroxypropan-2-yl)-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione

1-hydroxy-2-[(2R)-1-hydroxypropan-2-yl]-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione has been reported in Salvia miltiorrhiza with data available.

CAS Number109664-02-0
PubChem CID389888
IUPAC Name1-hydroxy-2-[(2R)-1-hydroxypropan-2-yl]-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione
Molecular FormulaC19H22O4
Molecular Weight314.4
XLogP3
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity560
SMILES
C[C@@H](CO)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O
InChI
InChI=1S/C19H22O4/c1-10(9-20)14-16(21)12-6-7-13-11(5-4-8-19(13,2)3)15(12)18(23)17(14)22/h6-7,10,20-21H,4-5,8-9H2,1-3H3/t10-/m0/s1
InChIKey
LGZFJHSOBYVDLA-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of 1-hydroxy-2-((2R)-1-hydroxypropan-2-yl)-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione
CAS: 109664-02-0
CID: 389888
Formula: C19H22O4
MW: 314.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.4
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass314.15180918
Monoisotopic Mass314.15180918
Topological Polar Surface Area74.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity560
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA6095-1Neocryptotanshinone
TN4633Neocryptotanshinone II

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