(3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-14-ethyl-6-[4-[2-[[2-[[(3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-14-ethyl-7-methoxy-3,5,7,9,11,13-hexamethyl-4,12,13-tris(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetradec-6-yl]oxy]-6-methyl-3-oxidanyl-oxan-4-yl]-methyl-amino]ethyl-methyl-amino]-6-methyl-3-oxidanyl-oxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-4,12,13-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione

Systemtic Name: (3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-14-ethyl-6-[4-[2-[[2-[[(3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-14-ethyl-7-methoxy-3,5,7,9,11,13-hexamethyl-4,12,13-tris(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetradec-6-yl]oxy]-6-methyl-3-oxidanyl-oxan-4-yl]-methyl-amino]ethyl-methyl-amino]-6-methyl-3-oxidanyl-oxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-4,12,13-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione Openeye Name: (3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-14-ethyl-6-[4-[2-[[2-[[(3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-14-ethyl-4,12,13-trihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-3-hydroxy-6-methyl-tetrahydropyran-4-yl]-methyl-amino]ethyl-methyl-amino]-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4,12,13-trihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione CAS Name: (3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-14-ethyl-6-[[4-[2-[[2-[[(3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-14-ethyl-4,12,13-trihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-3-hydroxy-6-methyl-4-oxanyl]-methylamino]ethyl-methylamino]-3-hydroxy-6-methyl-2-oxanyl]oxy]-4,12,13-trihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione IUPAC Name: (3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-14-ethyl-6-[4-[2-[[2-[[(3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-14-ethyl-4,12,13-trihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-methylamino]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-4,12,13-trihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione Traditional Name: (3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-14-ethyl-6-[4-[2-[[2-[[(3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-14-ethyl-4,12,13-trihydroxy-2,10-diketo-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradec-6-yl]oxy]-3-hydroxy-6-methyl-tetrahydropyran-4-yl]-methyl-amino]ethyl-methyl-amino]-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4,12,13-trihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-quinone Formula: C60H108N2O20 MolecularWeight: 1177.50092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)O)C)OC2C(C(CC(O2)C)N(C)CCN(C)C3CC(OC(C3O)OC4C(C(C(C(=O)OC(C(C(C(C(=O)C(CC4(C)OC)C)C)O)(C)O)CC)C)O)C)C)O)(C)OC)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)OC2C(C(CC(O2)C)N(C)CCN(C)C3CC(OC(C3O)O[C@@H]4[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@]4(C)OC)C)C)O)(C)O)CC)C)O)C)C)O)(C)OC)C)C)O)(C)O

InChI

InChI=1S/C60H108N2O20/c1-21-41-59(15,73)49(69)33(7)43(63)29(3)27-57(13,75-19)51(35(9)45(65)37(11)53(71)79-41)81-55-47(67)39(25-31(5)77-55)61(17)23-24-62(18)40-26-32(6)78-56(48(40)68)82-52-36(10)46(66)38(12)54(72)80-42(22-2)60(16,74)50(70)34(8)44(64)30(4)28-58(52,14)76-20/h29-42,45-52,55-56,65-70,73-74H,21-28H2,1-20H3/t29-,30-,31?,32?,33+,34+,35+,36+,37-,38-,39?,40?,41-,42-,45+,46+,47?,48?,49-,50-,51-,52-,55?,56?,57+,58+,59-,60-/m1/s1