[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (2E,4E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyl-6-[(Z)-12-methyl-1-oxidanylidene-tetradec-3-en-2-yl]tetracosa-2,4,8,10,12,14,16,18,22-nonaenoate

Systemtic Name: [(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (2E,4E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyl-6-[(Z)-12-methyl-1-oxidanylidene-tetradec-3-en-2-yl]tetracosa-2,4,8,10,12,14,16,18,22-nonaenoate Openeye Name: [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (2E,4E,8E,10E,12E,14E,16E,18E)-6-[(Z)-1-formyl-11-methyl-tridec-2-enyl]-2,6,11,15,19,23-hexamethyl-tetracosa-2,4,8,10,12,14,16,18,22-nonaenoate CAS Name: (2E,4E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyl-6-[(Z)-12-methyl-1-oxotetradec-3-en-2-yl]tetracosa-2,4,8,10,12,14,16,18,22-nonaenoic acid [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester IUPAC Name: [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2E,4E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyl-6-[(Z)-12-methyl-1-oxotetradec-3-en-2-yl]tetracosa-2,4,8,10,12,14,16,18,22-nonaenoate Traditional Name: (2E,4E,8E,10E,12E,14E,16E,18E)-6-[(Z)-1-formyl-11-methyl-tridec-2-enyl]-2,6,11,15,19,23-hexamethyl-tetracosa-2,4,8,10,12,14,16,18,22-nonaenoic acid [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester Formula: C51H78O8 MolecularWeight: 819.16022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCCCCCC=CC(C=O)C(C)(CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)CO)O)O)O

Isomeric SMILES

CCC(C)CCCCCCC/C=C\C(C=O)C(C)(C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C=C/C=C(\C)/C(=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

InChI

InChI=1S/C51H78O8/c1-10-39(4)25-16-14-12-11-13-15-17-33-44(36-52)51(9,35-23-32-43(8)49(57)59-50-48(56)47(55)46(54)45(37-53)58-50)34-19-18-26-40(5)28-21-30-42(7)31-22-29-41(6)27-20-24-38(2)3/h17-19,21-24,26,28-33,35-36,39,44-48,50,53-56H,10-16,20,25,27,34,37H2,1-9H3/b19-18+,28-21+,31-22+,33-17-,35-23+,40-26+,41-29+,42-30+,43-32+/t39?,44?,45-,46-,47+,48-,50-,51?/m1/s1