(4R,5S,6S,7S,9R,11E,13E,16R)-15-[[(3S,4S,5S,6S)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-6-[(2R,3R,4R,5S,6S)-4-(dimethylamino)-5-[(2R,4S,5R,6R)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-7,16-diethyl-5,9,13-trimethyl-4-oxidanyl-1-oxacyclohexadeca-11,13-diene-2,10-dione

Systemtic Name: (4R,5S,6S,7S,9R,11E,13E,16R)-15-[[(3S,4S,5S,6S)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-6-[(2R,3R,4R,5S,6S)-4-(dimethylamino)-5-[(2R,4S,5R,6R)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-7,16-diethyl-5,9,13-trimethyl-4-oxidanyl-1-oxacyclohexadeca-11,13-diene-2,10-dione Openeye Name: (4R,5S,6S,7S,9R,11E,13E,16R)-6-[(2R,3R,4R,5S,6S)-5-[(2R,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-7,16-diethyl-4-hydroxy-15-[[(3S,4S,5S,6S)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione CAS Name: (4R,5S,6S,7S,9R,11E,13E,16R)-6-[[(2R,3R,4R,5S,6S)-5-[[(2R,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-7,16-diethyl-4-hydroxy-15-[[(3S,4S,5S,6S)-5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione IUPAC Name: (4R,5S,6S,7S,9R,11E,13E,16R)-6-[(2R,3R,4R,5S,6S)-5-[(2R,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7,16-diethyl-4-hydroxy-15-[[(3S,4S,5S,6S)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione Traditional Name: (4R,5S,6S,7S,9R,11E,13E,16R)-6-[(2R,3R,4R,5S,6S)-5-[(2R,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-7,16-diethyl-4-hydroxy-15-[[(3S,4S,5S,6S)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-quinone Formula: C46H79NO16 MolecularWeight: 902.11656

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(C(=O)C=CC(=CC(C(OC(=O)CC(C(C1OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)C)O)CC)COC4C(C(C(C(O4)C)O)OC)OC)C)C

Isomeric SMILES

CC[C@H]1C[C@H](C(=O)/C=C/C(=C/C([C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C)O[C@@H]3C[C@]([C@@H]([C@H](O3)C)O)(C)O)N(C)C)O)C)O)CC)COC4[C@H]([C@H]([C@H]([C@@H](O4)C)O)OC)OC)/C)C

InChI

InChI=1S/C46H79NO16/c1-14-29-19-24(4)31(48)17-16-23(3)18-30(22-57-45-42(56-13)41(55-12)37(51)26(6)59-45)33(15-2)61-34(50)20-32(49)25(5)39(29)63-44-38(52)36(47(10)11)40(27(7)60-44)62-35-21-46(9,54)43(53)28(8)58-35/h16-18,24-30,32-33,35-45,49,51-54H,14-15,19-22H2,1-13H3/b17-16+,23-18+/t24-,25+,26+,27+,28-,29+,30?,32-,33-,35-,36-,37+,38-,39-,40-,41+,42+,43-,44+,45?,46+/m1/s1