[(2R,3R,4R,6R)-6-[(1R,2R,2'R,3R,3'S,4'R,5R,6R)-3-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5S,6S)-6-[(1R,1'S,2S,2'R,3'S,5S,6R,6'S)-5-(2,4-dihydroxy-6-methyl-benzoyl)oxy-2'-hydroxy-spiro[3,7,9-trioxabicyclo[4.3.0]nonane-2,8'-4,7,9-trioxabicyclo[4.3.0]nonane]-3'-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyl-oxan-4-yl]oxy-2,4'-dihydroxy-1,2',5-trimethyl-spiro[4,7,9-trioxabicyclo[4.3.0]nonane-8,6'-oxane]-3'-yl]oxy-4-[(2S,4S,5S,6S)-5-methoxy-4,6-dimethyl-4-nitro-oxan-2-yl]oxy-2-methyl-oxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methyl-benzoate
Molecular Formula:
C70H97Cl2NO38
InChI: InChI=1/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
InChIKey: InChIKey=UPADRKHAIMTUCC-LDTCNKBCBM
SMILES: CC1C(C(CC(O1)OC2C(OC3(CC2O)OC4C(OC(C(C4(O3)C)O)OC5C(C(OC(C5OC)C)OC6C(OC(C(C6O)OC)OC7C(C8C(CO7)OC9(O8)C1C(C(CO9)OC(=O)C2=C(C=C(C=C2C)O)O)OCO1)O)COC)O)C)C)OC1CC(C(C(O1)C)OC)(C)[N+](=O)[O-])OC(=O)C1=C(C(=C(C(=C1OC)Cl)O)Cl)C
Names:
[(2R,3R,4R,6R)-6-[(1R,2R,2'R,3R,3'S,4'R,5R,6R)-3-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5S,6S)-6-[(1R,1'S,2S,2'R,3'S,5S,6R,6'S)-5-(2,4-dihydroxy-6-methyl-benzoyl)oxy-2'-hydroxy-spiro[3,7,9-trioxabicyclo[4.3.0]nonane-2,8'-4,7,9-trioxabicyclo[4.3.0]nonane]-3'-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyl-oxan-4-yl]oxy-2,4'-dihydroxy-1,2',5-trimethyl-spiro[4,7,9-trioxabicyclo[4.3.0]nonane-8,6'-oxane]-3'-yl]oxy-4-[(2S,4S,5S,6S)-5-methoxy-4,6-dimethyl-4-nitro-oxan-2-yl]oxy-2-methyl-oxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methyl-benzoate
Registries:
PubChem CID 9898724
PubChem ID 14866579
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