Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C70H97Cl2NO38 |
Molecular Weight | 1631.409 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 35 / 35 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12CO[C@@H](O[C@]3([H])O[C@H](COC)[C@@H](O[C@]4([H])O[C@H](C)[C@H](OC)[C@H](O[C@]5([H])O[C@H](C)[C@@]6([H])O[C@]7(C[C@@H](O)[C@H](O[C@@]8([H])C[C@@H](O[C@@]9([H])C[C@@](C)([C@@H](OC)[C@H](C)O9)[N+]([O-])=O)[C@H](OC(=O)C%10=C(OC)C(Cl)=C(O)C(Cl)=C%10C)[C@@H](C)O8)[C@@H](C)O7)O[C@]6(C)[C@@H]5O)[C@H]4O)[C@H](O)[C@@H]3OC)[C@H](O)[C@]1([H])O[C@@]%11(O2)OC[C@@H](OC(=O)C%12=C(O)C=C(O)C=C%12C)[C@]%13([H])OCO[C@@]%11%13[H]
InChI
InChIKey=UPADRKHAIMTUCC-OWALTSPQSA-N
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
Molecular Formula | C70H97Cl2NO38 |
Molecular Weight | 1631.409 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 35 / 35 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:02:40 UTC 2023
by
admin
on
Sat Dec 16 16:02:40 UTC 2023
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Record UNII |
5X287491KH
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Record Status |
Validated (UNII)
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Record Version |
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-
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DTXSID60883194
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DB06431
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7870
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KK-08
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5X287491KH
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109545-84-8
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300000034183
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6917933
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CHEMBL2104405
Created by
admin on Sat Dec 16 16:02:40 UTC 2023 , Edited by admin on Sat Dec 16 16:02:40 UTC 2023
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C166869
Created by
admin on Sat Dec 16 16:02:40 UTC 2023 , Edited by admin on Sat Dec 16 16:02:40 UTC 2023
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