[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-3-acetyloxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl)pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-2-yl]oxy-oxan-2-yl]methyl 13-methyltetradecanoate

Systemtic Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-3-acetyloxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl)pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-2-yl]oxy-oxan-2-yl]methyl 13-methyltetradecanoate Openeye Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[(2S,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E)-2-acetoxy-1,1,5,9,13,18,22-heptamethyl-24-(2,6,6-trimethyl-3-oxo-cyclohexen-1-yl)tetracosa-3,5,7,9,11,13,15,17,19,21,23-undecaenoxy]tetrahydropyran-2-yl]methyl 13-methyltetradecanoate CAS Name: 13-methyltetradecanoic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-3-acetyloxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-2-yl]oxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-3-acetyloxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-2-yl]oxyoxan-2-yl]methyl 13-methyltetradecanoate Traditional Name: 13-methylmyristic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[(2S,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E)-2-acetoxy-24-(3-keto-2,6,6-trimethyl-cyclohexen-1-yl)-1,1,5,9,13,18,22-heptamethyl-tetracosa-3,5,7,9,11,13,15,17,19,21,23-undecaenoxy]tetrahydropyran-2-yl]methyl ester Formula: C69H100O13 MolecularWeight: 1137.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(C(C)(C)OC2C(C(C(C(O2)COC(=O)CCCCCCCCCCCC(C)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C)C

Isomeric SMILES

CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@H](C(C)(C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)CCCCCCCCCCCC(C)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)/C)/C

InChI

InChI=1S/C69H100O13/c1-48(2)31-24-22-20-18-17-19-21-23-25-40-63(75)76-47-61-64(78-56(10)71)65(79-57(11)72)66(80-58(12)73)67(81-61)82-69(15,16)62(77-55(9)70)44-42-53(7)39-30-37-51(5)36-28-34-49(3)32-26-27-33-50(4)35-29-38-52(6)41-43-59-54(8)60(74)45-46-68(59,13)14/h26-30,32-39,41-44,48,61-62,64-67H,17-25,31,40,45-47H2,1-16H3/b27-26+,34-28+,35-29+,37-30+,43-41+,44-42+,49-32+,50-33+,51-36+,52-38+,53-39+/t61-,62+,64-,65+,66-,67+/m1/s1