Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C39H44N4O12 |
| Molecular Weight | 760.7863 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=C(C=C)\C(NC1=O)=C\C2=C(C)C(CCC(O)=O)=C(CC3=C(CCC(=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(C)=C(N3)\C=C5/NC(=O)C(C=C)=C5C)N2
InChI
InChIKey=MQRFWGRFUKAJAX-LCNKTQGVSA-N
InChI=1S/C39H44N4O12/c1-7-20-19(6)36(50)43-27(20)14-25-17(4)22(9-11-30(44)45)28(41-25)15-29-23(18(5)24(40-29)13-26-16(3)21(8-2)37(51)42-26)10-12-31(46)54-39-34(49)32(47)33(48)35(55-39)38(52)53/h7-8,13-14,32-35,39-41,47-49H,1-2,9-12,15H2,3-6H3,(H,42,51)(H,43,50)(H,44,45)(H,52,53)/b26-13-,27-14-/t32-,33-,34+,35-,39+/m0/s1
| Molecular Formula | C39H44N4O12 |
| Molecular Weight | 760.7863 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 2 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 20:22:44 GMT 2023
by
admin
on
Sat Dec 16 20:22:44 GMT 2023
|
| Record UNII |
M37YYC372G
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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25245462
Created by
admin on Sat Dec 16 20:22:44 GMT 2023 , Edited by admin on Sat Dec 16 20:22:44 GMT 2023
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M37YYC372G
Created by
admin on Sat Dec 16 20:22:44 GMT 2023 , Edited by admin on Sat Dec 16 20:22:44 GMT 2023
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70794-57-9
Created by
admin on Sat Dec 16 20:22:44 GMT 2023 , Edited by admin on Sat Dec 16 20:22:44 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
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METABOLITE -> PARENT |
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PARENT -> METABOLITE |
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