(14R)-6,14-dimethyl-12-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15)-hexaene-16,17-dione

• ChemBase ID: 304359
• Molecular Formular: C18H14O3
• Molecular Mass: 278.30196
• Monoisotopic Mass: 278.09429431
• SMILES: c1cc(c2c(c1)c1c(cc2)C2=C(C(=O)C1=O)[C@H](CO2)C)C
• Canonical SMILES: C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c1cccc2C
• InChI: InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1
• InChIKey: HARGZZNYNSYSGJ-JTQLQIEISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (14R)-6,14-dimethyl-12-oxatetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadeca-1(10),2,4,6,8,11(15)-hexaene-16,17-dione
• IUPAC Traditional name: (14R)-6,14-dimethyl-12-oxatetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadeca-1(10),2,4,6,8,11(15)-hexaene-16,17-dione
• Synonyms: Dihydrotanshinone I

Database IDs

• CAS Number: 87205-99-0

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3554683
• LogD (pH = 7.4): 3.3554683
• Log P: 3.3554683
• Molar Refractivity: 81.397 cm^3
• Polarizability: 31.682848 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Red powder

Product Information

• Purity: 98.5