methyl 7-[(1R,2S,3S)-2-[(3S)-3-methyl-3-oxidanyl-5-phenyl-pent-1-ynyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoate

Systemtic Name: methyl 7-[(1R,2S,3S)-2-[(3S)-3-methyl-3-oxidanyl-5-phenyl-pent-1-ynyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: methyl 7-[(1R,2S,3S)-3-hydroxy-2-[(3S)-3-hydroxy-3-methyl-5-phenyl-pent-1-ynyl]-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[(1R,2S,3S)-3-hydroxy-2-[(3S)-3-hydroxy-3-methyl-5-phenylpent-1-ynyl]-5-oxocyclopentyl]heptanoic acid methyl ester IUPAC Name: methyl 7-[(1R,2S,3S)-3-hydroxy-2-[(3S)-3-hydroxy-3-methyl-5-phenylpent-1-ynyl]-5-oxocyclopentyl]heptanoate Traditional Name: 7-[(1R,2S,3S)-3-hydroxy-2-[(3S)-3-hydroxy-3-methyl-5-phenyl-pent-1-ynyl]-5-keto-cyclopentyl]enanthic acid methyl ester Formula: C25H34O5 MolecularWeight: 414.53446

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)(C#CC2C(CC(=O)C2CCCCCCC(=O)OC)O)O

Isomeric SMILES

C[C@](CCC1=CC=CC=C1)(C#C[C@H]2[C@H](CC(=O)[C@@H]2CCCCCCC(=O)OC)O)O

InChI

InChI=1S/C25H34O5/c1-25(29,16-14-19-10-6-5-7-11-19)17-15-21-20(22(26)18-23(21)27)12-8-3-4-9-13-24(28)30-2/h5-7,10-11,20-21,23,27,29H,3-4,8-9,12-14,16,18H2,1-2H3/t20-,21-,23+,25+/m1/s1