8,9-Dihydro-4,8-dimethylphenanthro(3,2-b)furan-7,11-dione

C₁₈H₁₄O₃CAS 20958-18-3278.31 g/mol

Open in Covalent MOL file

Alkene Ether Ketone

Properties

Molecular formula: C₁₈H₁₄O₃
Molar mass: 278.31 g/mol
Exact mass: 278.0943 Da
logP: 3.45Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

20958-18-3

SMILES

Cc1cccc2c3c(ccc12)C(=O)C1=C(OCC1C)C3=O

InChIKey

KXNYCALHDXGJSF-UHFFFAOYSA-N

InChI

InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)18-14(16(13)19)10(2)8-21-18/h3-7,10H,8H2,1-2H3

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Names and synonyms

4 names

8,9-Dihydro-4,8-dimethylphenanthro[3,2-B]furan-7,11-dione
Phenanthro[3,2-b]furan-7,11-dione, 8,9-dihydro-4,8-dimethyl-
Isotanshinone I, dihydro-
Dihydroisotanshinone I

Work with 8,9-Dihydro-4,8-dimethylphenanthro(3,2-b)furan-7,11-dione

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

Tanshinone I568-73-039 % similar Fluorescent yellow 8G2744-50-536 % similar 4-Methyl-1-naphthoic acid4488-40-835 % similar Cryptotanshinone35825-57-134 % similar 1,5-Dimethylnaphthalene571-61-933 % similar Ethyl 2-methylbenzoate87-24-131 % similar 2-Methoxy-6-methyl-benzoic acid ethyl ester6520-83-831 % similar o-Tolylacetic acid ethyl ester40291-39-230 % similar

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

Same formula

Dihydrotanshinone I87205-99-0

Elsewhere

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