chempirical

Tanshinone iia

C19H18O3CAS 568-72-9294.35 g/mol

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OOO
Ketone

Properties

Molecular formula
C19H18O3
Molar mass
294.35 g/mol
Exact mass
294.1256 Da
Melting point
205–207 °C
logP
4.25Crippen estimate
Polar surface area
47.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
568-72-9
SMILES
Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C
InChIKey
HYXITZLLTYIPOF-UHFFFAOYSA-N
InChI
InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • Phenanthro[1,2-b]furan-10,11-dione, 6,7,8,9-tetrahydro-1,6,6-trimethyl-
  • 6,7,8,9-Tetrahydro-1,6,6-trimethylphenanthro[1,2-b]furan-10,11-dione
  • Tanshinone II
  • Tanshinon II
  • Dan Shen ketone
  • Tanshinone B
  • NSC 686519
  • NSC 686518
  • Tashinone IIA
  • 1,6,6-Trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione
  • Salviol IIA
  • 1,6,6-Trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione

Work with Tanshinone iia

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sodium tanshinone iia sulfonate69659-80-956 % similar Tanshinone I568-73-048 % similar Cryptotanshinone35825-57-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Butyl-3-(4-hydroxybenzoyl)benzofuran52490-15-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook