[(1R,2E,6S,7S,10S,11E,13S)-3,7,13-trimethyl-6,13-bis(oxidanyl)-10-propan-2-yl-7-thiocyanato-cyclotetradeca-2,11-dien-1-yl] ethanoate

Systemtic Name: [(1R,2E,6S,7S,10S,11E,13S)-3,7,13-trimethyl-6,13-bis(oxidanyl)-10-propan-2-yl-7-thiocyanato-cyclotetradeca-2,11-dien-1-yl] ethanoate Openeye Name: [(1R,2E,6S,7S,10S,11E,13S)-6,13-dihydroxy-10-isopropyl-3,7,13-trimethyl-7-thiocyanato-cyclotetradeca-2,11-dien-1-yl] acetate CAS Name: acetic acid [(1R,2E,6S,7S,10S,11E,13S)-6,13-dihydroxy-3,7,13-trimethyl-10-propan-2-yl-7-thiocyanato-1-cyclotetradeca-2,11-dienyl] ester IUPAC Name: [(1R,2E,6S,7S,10S,11E,13S)-6,13-dihydroxy-3,7,13-trimethyl-10-propan-2-yl-7-thiocyanatocyclotetradeca-2,11-dien-1-yl] acetate Traditional Name: acetic acid [(1R,2E,6S,7S,10S,11E,13S)-6,13-dihydroxy-10-isopropyl-3,7,13-trimethyl-7-thiocyanato-cyclotetradeca-2,11-dien-1-yl] ester Formula: C23H37NO4S MolecularWeight: 423.60918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(CC(C=CC(CCC(C(CC1)O)(C)SC#N)C(C)C)(C)O)OC(=O)C

Isomeric SMILES

C/C/1=C\[C@@H](C[C@](/C=C/[C@@H](CC[C@]([C@H](CC1)O)(C)SC#N)C(C)C)(C)O)OC(=O)C

InChI

InChI=1S/C23H37NO4S/c1-16(2)19-9-11-22(5,27)14-20(28-18(4)25)13-17(3)7-8-21(26)23(6,12-10-19)29-15-24/h9,11,13,16,19-21,26-27H,7-8,10,12,14H2,1-6H3/b11-9+,17-13+/t19-,20-,21-,22+,23-/m0/s1