Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C79H108IN7O27S3 |
Molecular Weight | 1810.833 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 20 / 20 |
E/Z Centers | 2 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]1(C[C@H](OC)[C@H](CO1)N(CC)C(C)=O)O[C@@H]2[C@@H](O)[C@H](NO[C@H]3C[C@H](O)[C@H](SC(=O)C4=C(C)C(I)=C(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]5O)C(OC)=C4OC)[C@@H](C)O3)[C@@H](C)O[C@@]2([H])O[C@H]6C#CC=CC#C[C@]7(O)CC(=O)C(NC(=O)OC)=C6\C7=C/CSSC(C)(C)CC(=O)NN=C(C)C8=CC=C(OCCCC(=O)NCCCC[C@H](N)C(O)=O)C=C8
InChI
InChIKey=UEDJDQLWVSOPHA-NUSOPCJASA-N
InChI=1S/C79H108IN7O27S3/c1-15-87(45(7)88)50-39-107-57(36-54(50)101-10)112-70-65(94)62(86-114-58-35-51(89)72(44(6)108-58)116-74(98)59-40(2)61(80)68(71(104-13)67(59)102-11)113-75-66(95)69(103-12)64(93)43(5)110-75)42(4)109-76(70)111-53-24-18-16-17-20-31-79(100)37-52(90)63(83-77(99)105-14)60(53)48(79)30-34-115-117-78(8,9)38-56(92)85-84-41(3)46-26-28-47(29-27-46)106-33-22-25-55(91)82-32-21-19-23-49(81)73(96)97/h16-17,26-30,42-44,49-51,53-54,57-58,62,64-66,69-70,72,75-76,86,89,93-95,100H,15,19,21-23,25,32-39,81H2,1-14H3,(H,82,91)(H,83,99)(H,85,92)(H,96,97)/b17-16-,48-30+,84-41+/t42-,43+,44-,49+,50+,51+,53+,54+,57+,58+,62-,64+,65+,66-,69-,70-,72-,75+,76+,79+/m1/s1
Molecular Formula | C79H108IN7O27S3 |
Molecular Weight | 1810.833 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 20 / 20 |
E/Z Centers | 2 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:25:10 GMT 2023
by
admin
on
Sat Dec 16 08:25:10 GMT 2023
|
Record UNII |
606387782B
|
Record Status |
Validated (UNII)
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Record Version |
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-
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76963870
Created by
admin on Sat Dec 16 08:25:10 GMT 2023 , Edited by admin on Sat Dec 16 08:25:10 GMT 2023
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PRIMARY | |||
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606387782B
Created by
admin on Sat Dec 16 08:25:10 GMT 2023 , Edited by admin on Sat Dec 16 08:25:10 GMT 2023
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PRIMARY |