(2R,3R,4R,6S)-6-{[(2R,3aR,4R,4'R,5'S,6S,6'R,7S,7aR)-6-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5S,6S)-6-({(2R,3aS,3a'R,6S,7R,7'R,7aS,7a'S)-7'-[(2,4-Dihydroxy-6-methylbenzoyl)oxy]-7-hydroxyoctahydro-4H-2,4'-sp irobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl]oxy}-4',7-dihydroxy-4,6',7a-trimethylo ctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-4-{[(2R,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrotetrahydro-2H-pyran-2-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-4-hydroxy-2 -methoxy-6-methylbenzoate (non-preferred name)

More details:

• Systematic name

  (2R,3R,4R,6S)-6-{[(2R,3aR,4R,4'R,5'S,6S,6'R,7S,7aR)-6-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5S,6S)-6-({(2R,3aS,3a'R,6S,7R,7'R,7aS,7a'S)-7'-[(2,4-Dihydroxy-6-methylbenzoyl)oxy]-7-hydroxyoctahydro-4H-2,4'-sp irobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl]oxy}-4',7-dihydroxy-4,6',7a-trimethylo ctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-4-{[(2R,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrotetrahydro-2H-pyran-2-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-4-hydroxy-2 -methoxy-6-methylbenzoate (non-preferred name)

• SMILES

  C[C@@]1(C[C@@H](O[C@@H]2C[C@@H](O[C@H](C)[C@H]2OC(=O)C2C(OC)=C(Cl)C(O)=C(Cl)C=2C)O[C@H]2[C@H](O)C[C@]3(O[C@@H]4[C@@H](C)O[C@@H](O[C@H]5[C@@H](OC)[C@@H](C)O[C@@H](O[C@@H]6[C@@H](COC)O[C@@H](O[C@@H]7OC[C@@H]8O[C@]9(O[C@H]8[C@H]7O)OC[C@@H](OC(=O)C7=C(O)C=C(O)C=C7C)[C@@H]7OCO[C@@H]97)[C@@H](OC)[C@H]6O)[C@@H]5O)[C@@H](O)[C@@]4(C)O3)O[C@@H]2C)O[C@@H](C)[C@@H]1OC)[N+]([O-])=O

• Std. InChi

  InChI=1S/C70H97Cl2NO38/c1-24-15-31(74)16-32(75)40(24)61(82)100-36-22-94-70(60-53(36)92-23-93-60)108-37-21-91-63(46(79)52(37)109-70)106-65-56(89-13)45(78)51(35(101-65)20-86-10)104-64-47(80)55(50(87-11)27(4)97-64)105-66-57(81)68(9)59(30(7)98-66)110-69(111-68)18-33(76)48(28(5)107-69)102-38-17-34(99-39-19-67(8,73(84)85)58(90-14)29(6)96-39)49(26(3)95-38)103-62(83)41-25(2)42(71)44(77)43(72)54(41)88-12/h15-16,26-30,33-39,45-53,55-60,63-66,74-81H,17-23H2,1-14H3/t26-,27-,28-,29+,30-,33-,34-,35-,36-,37+,38+,39-,45+,46-,47-,48-,49-,50+,51-,52-,53+,55-,56+,57-,58+,59-,60-,63+,64+,65+,66+,67+,68-,69-,70-/m1/s1

• Std. InChIKey

  UPADRKHAIMTUCC-LRNXXXSBSA-N

• Cite this record

  CSID:59053731, http://www.chemspider.com/Chemical-Structure.59053731.html (accessed 15:44, May 21, 2024)