(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-[(3R,4R,5S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-5-prop-2-ynoxy-oxan-2-yl]oxy-16-ethyl-5,9,13-trimethyl-4-oxidanyl-7-[2-[(E)-3-phenylprop-2-enoxy]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-[(3R,4R,5S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-5-prop-2-ynoxy-oxan-2-yl]oxy-16-ethyl-5,9,13-trimethyl-4-oxidanyl-7-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione Openeye Name: (4R,5S,6S,7R,9R,11E,13E,15R,16R)-7-[2-[(E)-cinnamyl]oxyethyl]-6-[(3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-5-prop-2-ynoxy-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-1-oxacyclohexadeca-11,13-diene-2,10-dione CAS Name: (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[[(3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-5-prop-2-ynoxy-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-[(E)-3-phenylprop-2-enoxy]ethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione IUPAC Name: (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-5-prop-2-ynoxyoxan-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-[(E)-3-phenylprop-2-enoxy]ethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione Traditional Name: (4R,5S,6S,7R,9R,11E,13E,15R,16R)-7-[2-[(E)-cinnamyl]oxyethyl]-6-[(3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-5-propargyloxy-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-1-oxacyclohexadeca-11,13-diene-2,10-quinone Formula: C51H77NO14 MolecularWeight: 928.15538

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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)OCC#C)N(C)C)O)CCOCC=CC3=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)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C)OCC#C)N(C)C)O)CCOC/C=C/C3=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/C51H77NO14/c1-12-24-61-47-35(7)64-50(45(57)43(47)52(8)9)66-46-33(5)40(54)29-42(55)65-41(13-2)38(30-62-51-49(59-11)48(58-10)44(56)34(6)63-51)27-31(3)21-22-39(53)32(4)28-37(46)23-26-60-25-17-20-36-18-15-14-16-19-36/h1,14-22,27,32-35,37-38,40-41,43-51,54,56-57H,13,23-26,28-30H2,2-11H3/b20-17+,22-21+,31-27+/t32-,33+,34-,35-,37+,38-,40-,41-,43-,44-,45-,46-,47-,48-,49-,50?,51-/m1/s1