(1E,3E,5E,7E,9E,11E,13E,15Z)-16-(hydroxymethyl)-3,7,12-trimethyl-1-[(4S,6R)-2,2,6-trimethyl-4,6-bis(oxidanyl)cyclohexylidene]-18-[(4R)-2,2,6-trimethyl-4-oxidanyl-cyclohexyl]octadeca-3,5,7,9,11,13,15-heptaen-17-yn-2-one

Systemtic Name: (1E,3E,5E,7E,9E,11E,13E,15Z)-16-(hydroxymethyl)-3,7,12-trimethyl-1-[(4S,6R)-2,2,6-trimethyl-4,6-bis(oxidanyl)cyclohexylidene]-18-[(4R)-2,2,6-trimethyl-4-oxidanyl-cyclohexyl]octadeca-3,5,7,9,11,13,15-heptaen-17-yn-2-one Openeye Name: (1E,3E,5E,7E,9E,11E,13E,15Z)-1-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethyl-cyclohexylidene]-16-(hydroxymethyl)-18-[(4R)-4-hydroxy-2,2,6-trimethyl-cyclohexyl]-3,7,12-trimethyl-octadeca-3,5,7,9,11,13,15-heptaen-17-yn-2-one CAS Name: (1E,3E,5E,7E,9E,11E,13E,15Z)-1-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-16-(hydroxymethyl)-18-[(4R)-4-hydroxy-2,2,6-trimethylcyclohexyl]-3,7,12-trimethyl-2-octadeca-3,5,7,9,11,13,15-heptaen-17-ynone IUPAC Name: (1E,3E,5E,7E,9E,11E,13E,15Z)-1-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-16-(hydroxymethyl)-18-[(4R)-4-hydroxy-2,2,6-trimethylcyclohexyl]-3,7,12-trimethyloctadeca-3,5,7,9,11,13,15-heptaen-17-yn-2-one Traditional Name: (1E,3E,5E,7E,9E,11E,13E,15Z)-1-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethyl-cyclohexylidene]-18-[(4R)-4-hydroxy-2,2,6-trimethyl-cyclohexyl]-3,7,12-trimethyl-16-methylol-octadeca-3,5,7,9,11,13,15-heptaen-17-yn-2-one Formula: C40H56O5 MolecularWeight: 616.86964

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1C#CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C(=O)C=C2C(CC(CC2(C)O)O)(C)C)C)CO)(C)C)O

Isomeric SMILES

CC1C[C@H](CC(C1C#C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)/C=C\2/[C@](C[C@H](CC2(C)C)O)(C)O)/C)/CO)(C)C)O

InChI

InChI=1S/C40H56O5/c1-28(16-12-18-30(3)36(44)23-37-39(7,8)25-34(43)26-40(37,9)45)14-10-11-15-29(2)17-13-19-32(27-41)20-21-35-31(4)22-33(42)24-38(35,5)6/h10-19,23,31,33-35,41-43,45H,22,24-27H2,1-9H3/b11-10+,16-12+,17-13+,28-14+,29-15+,30-18+,32-19-,37-23+/t31?,33-,34+,35?,40-/m1/s1