methyl 12-methoxychanofruticosinate

AlkaPlorer ID: AK112017

Synonym: 'Methyl 12-methoxychanofruticosinate', 'Methyl-12-methoxychanofruticosinate'

IUPAC Name: None

Structure

SMILES: COC(=O)N1C2=C(C=CC=C2OC)[C@@]23[C@@H]4C[NH+]5CCC[C@@](CC[C@]12C(=O)OC)(CC4=O)[C@H]53

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InChI: InChI=1S/C24H28N2O6/c1-30-17-7-4-6-14-18(17)26(21(29)32-3)23(20(28)31-2)10-9-22-8-5-11-25-13-15(16(27)12-22)24(14,23)19(22)25/h4,6-7,15,19H,5,8-13H2,1-3H3/p+1/t15-,19+,22-,23-,24+/m1/s1

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InChIKey: MSSNAZSJDGAHLN-RZWRTUBPSA-O

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Properties Information

Molecule Weight: 441.5040000000004

TPSA: 86.57999999999998

MolLogP: 0.8613000000000004

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information