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

Systemtic Name: (4R,5S,6S,7R,9R,11E,13E,15R,16R)-15-[[(2R,3R,4R,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-16-ethyl-5,9,13-trimethyl-4-oxidanyl-7-[2-(phenethylamino)ethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione Openeye Name: (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-5,9,13-trimethyl-7-[2-(phenethylamino)ethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione CAS Name: (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl]oxymethyl]-5,9,13-trimethyl-7-[2-(phenethylamino)ethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione IUPAC Name: (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-7-[2-(phenethylamino)ethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione Traditional Name: (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-5,9,13-trimethyl-7-[2-(phenethylamino)ethyl]-1-oxacyclohexadeca-11,13-diene-2,10-quinone Formula: C47H76N2O13 MolecularWeight: 877.11194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CCNCCC3=CC=CC=C3)C)C)COC4C(C(C(C(O4)C)O)OC)OC

Isomeric SMILES

CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CCNCCC3=CC=CC=C3)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC

InChI

InChI=1S/C47H76N2O13/c1-11-37-34(26-58-47-45(57-10)44(56-9)41(54)31(6)60-47)23-27(2)17-18-35(50)28(3)24-33(20-22-48-21-19-32-15-13-12-14-16-32)43(29(4)36(51)25-38(52)61-37)62-46-42(55)39(49(7)8)40(53)30(5)59-46/h12-18,23,28-31,33-34,36-37,39-48,51,53-55H,11,19-22,24-26H2,1-10H3/b18-17+,27-23+/t28-,29+,30-,31-,33+,34-,36-,37-,39+,40-,41-,42-,43-,44-,45-,46+,47-/m1/s1