O1-[(E,3S,8S)-4,8-dimethyl-6-methylidene-9-oxidanyl-non-4-en-3-yl] O6-methyl (2R,4S)-4-(hydroxymethyl)-2-methyl-4-oxidanyl-3-oxidanylidene-hexanedioate

Systemtic Name: O1-[(E,3S,8S)-4,8-dimethyl-6-methylidene-9-oxidanyl-non-4-en-3-yl] O6-methyl (2R,4S)-4-(hydroxymethyl)-2-methyl-4-oxidanyl-3-oxidanylidene-hexanedioate Openeye Name: O1-[(E,1S,6S)-1-ethyl-7-hydroxy-2,6-dimethyl-4-methylene-hept-2-enyl] O6-methyl (2R,4S)-4-hydroxy-4-(hydroxymethyl)-2-methyl-3-oxo-hexanedioate CAS Name: (2R,4S)-4-hydroxy-4-(hydroxymethyl)-2-methyl-3-oxohexanedioic acid O1-[(E,3S,8S)-9-hydroxy-4,8-dimethyl-6-methylenenon-4-en-3-yl] ester O6-methyl ester IUPAC Name: 1-O-[(E,3S,8S)-9-hydroxy-4,8-dimethyl-6-methylidenenon-4-en-3-yl] 6-O-methyl (2R,4S)-4-hydroxy-4-(hydroxymethyl)-2-methyl-3-oxohexanedioate Traditional Name: (2R,4S)-4-hydroxy-3-keto-2-methyl-4-methylol-adipic acid O1-[(1S,2E)-1-ethyl-4-[(2S)-3-hydroxy-2-methyl-propyl]-2-methyl-penta-2,4-dienyl] ester O6-methyl ester Formula: C21H34O8 MolecularWeight: 414.48986

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=CC(=C)CC(C)CO)C)OC(=O)C(C)C(=O)C(CC(=O)OC)(CO)O

Isomeric SMILES

CC[C@@H](/C(=C/C(=C)C[C@H](C)CO)/C)OC(=O)[C@H](C)C(=O)[C@](CC(=O)OC)(CO)O

InChI

InChI=1S/C21H34O8/c1-7-17(15(4)9-13(2)8-14(3)11-22)29-20(26)16(5)19(25)21(27,12-23)10-18(24)28-6/h9,14,16-17,22-23,27H,2,7-8,10-12H2,1,3-6H3/b15-9+/t14-,16+,17-,21-/m0/s1