Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C85H140O8 |
Molecular Weight | 1290.0163 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 24 / 24 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12CC[C@@]3([H])[C@@](C)(CCC[C@]3(C)[C@@]1([H])CC[C@@](C)(CC)C2)C(=O)OCC(COC(=O)[C@]4(C)CCC[C@]5(C)[C@@]6([H])CC[C@@](C)(CC)C[C@]6([H])CC[C@@]45[H])(COC(=O)[C@]7(C)CCC[C@]8(C)[C@@]9([H])CC[C@@](C)(CC)C[C@]9([H])CC[C@@]78[H])COC(=O)[C@]%10(C)CCC[C@]%11(C)[C@@]%12([H])CC[C@@](C)(CC)C[C@]%12([H])CC[C@@]%10%11[H]
InChI
InChIKey=NXOCMKASMFJZAT-NABBWCGESA-N
InChI=1S/C85H140O8/c1-17-73(5)45-33-61-57(49-73)25-29-65-77(61,9)37-21-41-81(65,13)69(86)90-53-85(54-91-70(87)82(14)42-22-38-78(10)62-34-46-74(6,18-2)50-58(62)26-30-66(78)82,55-92-71(88)83(15)43-23-39-79(11)63-35-47-75(7,19-3)51-59(63)27-31-67(79)83)56-93-72(89)84(16)44-24-40-80(12)64-36-48-76(8,20-4)52-60(64)28-32-68(80)84/h57-68H,17-56H2,1-16H3/t57-,58-,59-,60-,61-,62-,63-,64-,65+,66+,67+,68+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+/m0/s1
Molecular Formula | C85H140O8 |
Molecular Weight | 1290.0163 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 24 / 24 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:49:57 GMT 2023
by
admin
on
Fri Dec 15 15:49:57 GMT 2023
|
Record UNII |
HC2T14M05K
|
Record Status |
Validated (UNII)
|
Record Version |
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-
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HC2T14M05K
Created by
admin on Fri Dec 15 15:49:57 GMT 2023 , Edited by admin on Fri Dec 15 15:49:57 GMT 2023
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124081816
Created by
admin on Fri Dec 15 15:49:57 GMT 2023 , Edited by admin on Fri Dec 15 15:49:57 GMT 2023
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PRIMARY |