(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyl-24-[(2S,3R,4S,5R)-3-(12-methyltridecanoyloxy)-4,5-bis(oxidanyl)oxan-2-yl]oxy-24-oxidanylidene-tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid

Systemtic Name: (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyl-24-[(2S,3R,4S,5R)-3-(12-methyltridecanoyloxy)-4,5-bis(oxidanyl)oxan-2-yl]oxy-24-oxidanylidene-tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid Openeye Name: (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-24-[(2S,3R,4S,5R)-4,5-dihydroxy-3-(12-methyltridecanoyloxy)tetrahydropyran-2-yl]oxy-2,6,10,15,19,23-hexamethyl-24-oxo-tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid CAS Name: (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-24-[[(2S,3R,4S,5R)-4,5-dihydroxy-3-(12-methyl-1-oxotridecoxy)-2-oxanyl]oxy]-2,6,10,15,19,23-hexamethyl-24-oxotetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid IUPAC Name: (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-24-[(2S,3R,4S,5R)-4,5-dihydroxy-3-(12-methyltridecanoyloxy)oxan-2-yl]oxy-2,6,10,15,19,23-hexamethyl-24-oxotetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid Traditional Name: (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-24-[(2S,3R,4S,5R)-4,5-dihydroxy-3-(12-methyltridecanoyloxy)tetrahydropyran-2-yl]oxy-24-keto-2,6,10,15,19,23-hexamethyl-tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid Formula: C49H70O9 MolecularWeight: 803.0747

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCC(=O)OC1C(C(COC1OC(=O)C(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O)C)C)C)O)O

Isomeric SMILES

CC(C)CCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@@H](CO[C@H]1OC(=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(=O)O)/C)/C)/C)O)O

InChI

InChI=1S/C49H70O9/c1-36(2)23-15-13-11-9-10-12-14-16-34-44(51)57-46-45(52)43(50)35-56-49(46)58-48(55)42(8)33-22-31-40(6)29-20-27-38(4)25-18-17-24-37(3)26-19-28-39(5)30-21-32-41(7)47(53)54/h17-22,24-33,36,43,45-46,49-50,52H,9-16,23,34-35H2,1-8H3,(H,53,54)/b18-17+,26-19+,27-20+,30-21+,31-22+,37-24+,38-25+,39-28+,40-29+,41-32+,42-33+/t43-,45+,46-,49+/m1/s1