Dihydrotanshinone I

C₁₈H₁₄O₃CAS 87205-99-0278.31 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
Melting point: 201–203 °C
logP: 3.29Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H400 Very toxic to aquatic life100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number

87205-99-0

SMILES

Cc1cccc2c3c(ccc12)C1=C(C(=O)C3=O)[C@@H](C)CO1

InChIKey

HARGZZNYNSYSGJ-JTQLQIEISA-N

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

Weigh it out

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

Names and synonyms

6 names

Phenanthro[1,2-b]furan-10,11-dione, 1,2-dihydro-1,6-dimethyl-, (1R)-
(1R)-1,2-Dihydro-1,6-dimethylphenanthro[1,2-b]furan-10,11-dione
(-)-Dihydrotanshinone I
Tanshinone I, dihydro-
15,16-Dihydrotanshinone I
(1R)-1,6-Dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-dione

Work with Dihydrotanshinone I

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

Cryptotanshinone35825-57-151 % similar Tanshinone I568-73-038 % similar Fluorescent yellow 8G2744-50-535 % similar 1,5-Dimethylnaphthalene571-61-932 % similar 4-Methyl-1-naphthoic acid4488-40-831 % similar

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

Same formula

8,9-Dihydro-4,8-dimethylphenanthro(3,2-b)furan-7,11-dione20958-18-3

Elsewhere

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