(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,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-prop-2-enoxyethyl)-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,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-prop-2-enoxyethyl)-1-oxacyclohexadeca-11,13-diene-2,10-dione Openeye Name: (4R,5S,6S,7R,9R,11E,13E,15R,16R)-7-(2-allyloxyethyl)-6-[(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-1-oxacyclohexadeca-11,13-diene-2,10-dione CAS Name: (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[[(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-prop-2-enoxyethyl)-1-oxacyclohexadeca-11,13-diene-2,10-dione IUPAC Name: (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(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-prop-2-enoxyethyl)-1-oxacyclohexadeca-11,13-diene-2,10-dione Traditional Name: (4R,5S,6S,7R,9R,11E,13E,15R,16R)-7-(2-allyloxyethyl)-6-[(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-1-oxacyclohexadeca-11,13-diene-2,10-quinone Formula: C42H71NO14 MolecularWeight: 814.01144

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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)O)N(C)C)O)CCOCC=C)C)C)COC3C(C(C(C(O3)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)O)N(C)C)O)CCOCC=C)C)\C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC

InChI

InChI=1S/C42H71NO14/c1-12-17-52-18-16-28-20-24(4)30(44)15-14-23(3)19-29(22-53-42-40(51-11)39(50-10)36(48)27(7)55-42)32(13-2)56-33(46)21-31(45)25(5)38(28)57-41-37(49)34(43(8)9)35(47)26(6)54-41/h12,14-15,19,24-29,31-32,34-42,45,47-49H,1,13,16-18,20-22H2,2-11H3/b15-14+,23-19+/t24-,25+,26-,27-,28+,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41?,42-/m1/s1