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

Systemtic Name: (4E)-4-[(3E,5E,7E,9E,11E,13E,15Z)-16-(hydroxymethyl)-3,7,12-trimethyl-2-oxidanylidene-18-[(4S,6R)-2,2,6-trimethyl-4,6-bis(oxidanyl)cyclohexylidene]octadeca-3,5,7,9,11,13,15,17-octaenylidene]-3,5,5-trimethyl-2-oxidanyl-cyclohex-2-en-1-one Openeye Name: (4E)-4-[(3E,5E,7E,9E,11E,13E,15Z)-18-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethyl-cyclohexylidene]-16-(hydroxymethyl)-3,7,12-trimethyl-2-oxo-octadeca-3,5,7,9,11,13,15,17-octaenylidene]-2-hydroxy-3,5,5-trimethyl-cyclohex-2-en-1-one CAS Name: (4E)-4-[(3E,5E,7E,9E,11E,13E,15Z)-18-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-16-(hydroxymethyl)-3,7,12-trimethyl-2-oxooctadeca-3,5,7,9,11,13,15,17-octaenylidene]-2-hydroxy-3,5,5-trimethyl-1-cyclohex-2-enone IUPAC Name: (4E)-4-[(3E,5E,7E,9E,11E,13E,15Z)-18-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-16-(hydroxymethyl)-3,7,12-trimethyl-2-oxooctadeca-3,5,7,9,11,13,15,17-octaenylidene]-2-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one Traditional Name: (4E)-4-[(3E,5E,7E,9E,11E,13E,15Z)-18-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethyl-cyclohexylidene]-2-keto-3,7,12-trimethyl-16-methylol-octadeca-3,5,7,9,11,13,15,17-octaenylidene]-2-hydroxy-3,5,5-trimethyl-cyclohex-2-en-1-one Formula: C40H52O6 MolecularWeight: 628.83728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)CC(C1=CC(=O)C(=CC=CC(=CC=CC=C(C)C=CC=C(CO)C=C=C2C(CC(CC2(C)O)O)(C)C)C)C)(C)C)O

Isomeric SMILES

CC\1=C(C(=O)CC(/C1=C\C(=O)/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\CO)/C=C=C2[C@](C[C@H](CC2(C)C)O)(C)O)/C)/C)(C)C)O

InChI

InChI=1S/C40H52O6/c1-27(16-12-18-29(3)34(43)22-33-30(4)37(45)35(44)25-38(33,5)6)14-10-11-15-28(2)17-13-19-31(26-41)20-21-36-39(7,8)23-32(42)24-40(36,9)46/h10-20,22,32,41-42,45-46H,23-26H2,1-9H3/b11-10+,16-12+,17-13+,27-14+,28-15+,29-18+,31-19-,33-22-/t21?,32-,40+/m0/s1