(2E,4E,7S)-8-[(2S,6R)-2-[(2S,3S,4S,6R,7S,8S,9S,10S,11S)-13-[(2S,4R,6S)-4-methoxy-6-methyl-oxan-2-yl]-3,7,9,11-tetramethyl-2,4,6,8,10-pentakis(oxidanyl)tridecyl]-3,6-dihydro-2H-pyran-6-yl]-4-methyl-7-oxidanyl-octa-2,4-dienoic acid

Systemtic Name: (2E,4E,7S)-8-[(2S,6R)-2-[(2S,3S,4S,6R,7S,8S,9S,10S,11S)-13-[(2S,4R,6S)-4-methoxy-6-methyl-oxan-2-yl]-3,7,9,11-tetramethyl-2,4,6,8,10-pentakis(oxidanyl)tridecyl]-3,6-dihydro-2H-pyran-6-yl]-4-methyl-7-oxidanyl-octa-2,4-dienoic acid Openeye Name: (2E,4E,7S)-7-hydroxy-4-methyl-8-[(2S,6R)-2-[(2S,3S,4S,6R,7S,8S,9S,10S,11S)-2,4,6,8,10-pentahydroxy-13-[(2S,4R,6S)-4-methoxy-6-methyl-tetrahydropyran-2-yl]-3,7,9,11-tetramethyl-tridecyl]-3,6-dihydro-2H-pyran-6-yl]octa-2,4-dienoic acid CAS Name: (2E,4E,7S)-7-hydroxy-4-methyl-8-[(2S,6R)-2-[(2S,3S,4S,6R,7S,8S,9S,10S,11S)-2,4,6,8,10-pentahydroxy-13-[(2S,4R,6S)-4-methoxy-6-methyl-2-oxanyl]-3,7,9,11-tetramethyltridecyl]-3,6-dihydro-2H-pyran-6-yl]octa-2,4-dienoic acid IUPAC Name: (2E,4E,7S)-7-hydroxy-4-methyl-8-[(2S,6R)-2-[(2S,3S,4S,6R,7S,8S,9S,10S,11S)-2,4,6,8,10-pentahydroxy-13-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-3,7,9,11-tetramethyltridecyl]-3,6-dihydro-2H-pyran-6-yl]octa-2,4-dienoic acid Traditional Name: (2E,4E,7S)-7-hydroxy-4-methyl-8-[(2S,6R)-2-[(2S,3S,4S,6R,7S,8S,9S,10S,11S)-2,4,6,8,10-pentahydroxy-13-[(2S,4R,6S)-4-methoxy-6-methyl-tetrahydropyran-2-yl]-3,7,9,11-tetramethyl-tridecyl]-3,6-dihydro-2H-pyran-6-yl]octa-2,4-dienoic acid Formula: C38H66O11 MolecularWeight: 698.92404

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(O1)CCC(C)C(C(C)C(C(C)C(CC(C(C)C(CC2CC=CC(O2)CC(CC=C(C)C=CC(=O)O)O)O)O)O)O)O)OC

Isomeric SMILES

C[C@H]1C[C@H](C[C@@H](O1)CC[C@H](C)[C@@H]([C@H](C)[C@H]([C@@H](C)[C@@H](C[C@@H]([C@H](C)[C@H](C[C@@H]2CC=C[C@H](O2)C[C@H](C/C=C(\C)/C=C/C(=O)O)O)O)O)O)O)O)OC

InChI

InChI=1S/C38H66O11/c1-22(12-16-36(43)44)11-14-28(39)18-29-9-8-10-30(49-29)20-33(40)25(4)34(41)21-35(42)26(5)38(46)27(6)37(45)23(2)13-15-31-19-32(47-7)17-24(3)48-31/h8-9,11-12,16,23-35,37-42,45-46H,10,13-15,17-21H2,1-7H3,(H,43,44)/b16-12+,22-11+/t23-,24-,25+,26-,27-,28-,29-,30-,31-,32+,33-,34-,35+,37-,38-/m0/s1