methyl (1S,3R,4S)-3-[(12R)-6,12-dimethyl-13-oxidanyl-tridecanoyl]oxy-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,3R,4S)-3-[(12R)-6,12-dimethyl-13-oxidanyl-tridecanoyl]oxy-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: methyl (1S,3R,4S)-4-hydroxy-3-[(12R)-13-hydroxy-6,12-dimethyl-tridecanoyl]oxy-cyclohexanecarboxylate CAS Name: (1S,3R,4S)-4-hydroxy-3-[(12R)-13-hydroxy-6,12-dimethyl-1-oxotridecoxy]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,3R,4S)-4-hydroxy-3-[(12R)-13-hydroxy-6,12-dimethyltridecanoyl]oxycyclohexane-1-carboxylate Traditional Name: (1S,3R,4S)-4-hydroxy-3-[(12R)-13-hydroxy-6,12-dimethyl-tridecanoyl]oxy-cyclohexanecarboxylic acid methyl ester Formula: C23H42O6 MolecularWeight: 414.57598

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCC(C)CO)CCCCC(=O)OC1CC(CCC1O)C(=O)OC

Isomeric SMILES

C[C@H](CCCCCC(C)CCCCC(=O)O[C@@H]1C[C@H](CC[C@@H]1O)C(=O)OC)CO

InChI

InChI=1S/C23H42O6/c1-17(9-5-4-6-11-18(2)16-24)10-7-8-12-22(26)29-21-15-19(23(27)28-3)13-14-20(21)25/h17-21,24-25H,4-16H2,1-3H3/t17?,18-,19+,20+,21-/m1/s1