(1S,3E,5E,7S,8R,11Z,13E,15S,19S,20S)-8-[(2S,3R,4S)-4-[(2R,4R,5R,6R)-5,6-dimethyl-4-[(2R,4R,5S,6R)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-oxan-2-yl]-3-oxidanyl-pentan-2-yl]-7-methoxy-3,13,15-trimethyl-20-oxidanyl-19-pentyl-9,16,18-trioxabicyclo[13.4.1]icosa-3,5,11,13-tetraen-10-one

Systemtic Name: (1S,3E,5E,7S,8R,11Z,13E,15S,19S,20S)-8-[(2S,3R,4S)-4-[(2R,4R,5R,6R)-5,6-dimethyl-4-[(2R,4R,5S,6R)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-oxan-2-yl]-3-oxidanyl-pentan-2-yl]-7-methoxy-3,13,15-trimethyl-20-oxidanyl-19-pentyl-9,16,18-trioxabicyclo[13.4.1]icosa-3,5,11,13-tetraen-10-one Openeye Name: (1S,3E,5E,7S,8R,11Z,13E,15S,19S,20S)-8-[(1S,2R,3S)-3-[(2R,4R,5R,6R)-4-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-hydroxy-5,6-dimethyl-tetrahydropyran-2-yl]-2-hydroxy-1-methyl-butyl]-20-hydroxy-7-methoxy-3,13,15-trimethyl-19-pentyl-9,16,18-trioxabicyclo[13.4.1]icosa-3,5,11,13-tetraen-10-one CAS Name: (1S,3E,5E,7S,8R,11Z,13E,15S,19S,20S)-8-[(2S,3R,4S)-4-[(2R,4R,5R,6R)-4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-2-hydroxy-5,6-dimethyl-2-oxanyl]-3-hydroxypentan-2-yl]-20-hydroxy-7-methoxy-3,13,15-trimethyl-19-pentyl-9,16,18-trioxabicyclo[13.4.1]eicosa-3,5,11,13-tetraen-10-one IUPAC Name: (1S,3E,5E,7S,8R,11Z,13E,15S,19S,20S)-8-[(2S,3R,4S)-4-[(2R,4R,5R,6R)-4-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-hydroxy-5,6-dimethyloxan-2-yl]-3-hydroxypentan-2-yl]-20-hydroxy-7-methoxy-3,13,15-trimethyl-19-pentyl-9,16,18-trioxabicyclo[13.4.1]icosa-3,5,11,13-tetraen-10-one Traditional Name: (1S,3E,5E,7S,8R,11Z,13E,15S,19S,20S)-19-amyl-8-[(1S,2R,3S)-3-[(2R,4R,5R,6R)-4-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-hydroxy-5,6-dimethyl-tetrahydropyran-2-yl]-2-hydroxy-1-methyl-butyl]-20-hydroxy-7-methoxy-3,13,15-trimethyl-9,16,18-trioxabicyclo[13.4.1]eicosa-3,5,11,13-tetraen-10-one Formula: C44H72O13 MolecularWeight: 809.03468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C2CC(=CC=CC(C(OC(=O)C=CC(=CC(C2O)(OCO1)C)C)C(C)C(C(C)C3(CC(C(C(O3)C)C)OC4CC(C(C(O4)C)O)O)O)O)OC)C

Isomeric SMILES

CCCCC[C@H]1[C@H]2C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C=C\C(=C\[C@@]([C@H]2O)(OCO1)C)\C)[C@@H](C)[C@H]([C@H](C)[C@]3(C[C@H]([C@@H]([C@H](O3)C)C)O[C@H]4C[C@H]([C@@H]([C@H](O4)C)O)O)O)O)OC)/C

InChI

InChI=1S/C44H72O13/c1-11-12-13-16-34-32-20-25(2)15-14-17-35(51-10)41(56-37(46)19-18-26(3)22-43(9,42(32)49)53-24-52-34)28(5)39(47)29(6)44(50)23-36(27(4)30(7)57-44)55-38-21-33(45)40(48)31(8)54-38/h14-15,17-19,22,27-36,38-42,45,47-50H,11-13,16,20-21,23-24H2,1-10H3/b17-14+,19-18-,25-15+,26-22+/t27-,28+,29+,30-,31-,32-,33-,34+,35+,36-,38+,39-,40-,41-,42+,43+,44-/m1/s1