Details
Stereochemistry | EPIMERIC |
Molecular Formula | C42H69NO16 |
Molecular Weight | 843.9944 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 16 / 17 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCC(=O)O[C@]1(C)C[C@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@H]3[C@@H](CC=O)C[C@@H](C)[C@@H](O)\C=C\C=C\C[C@@H](C)OC(=O)C[C@@H](O)[C@@H]3OC)[C@H](O)[C@H]2N(C)C)O[C@@H](C)[C@@H]1OC(=O)CC(C)O
InChI
InChIKey=CZBYRVLRAKMALN-JFSIFAEJSA-N
InChI=1S/C42H69NO16/c1-11-31(48)59-42(7)22-34(54-27(6)40(42)56-32(49)20-24(3)45)57-37-26(5)55-41(36(51)35(37)43(8)9)58-38-28(17-18-44)19-23(2)29(46)16-14-12-13-15-25(4)53-33(50)21-30(47)39(38)52-10/h12-14,16,18,23-30,34-41,45-47,51H,11,15,17,19-22H2,1-10H3/b13-12+,16-14+/t23-,24?,25-,26-,27+,28+,29+,30-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1
Molecular Formula | C42H69NO16 |
Molecular Weight | 843.9944 |
Charge | 0 |
Count |
|
Stereochemistry | EPIMERIC |
Additional Stereochemistry | No |
Defined Stereocenters | 16 / 17 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:33:21 GMT 2023
by
admin
on
Sat Dec 16 15:33:21 GMT 2023
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Record UNII |
5K2CF488XZ
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Record Status |
Validated (UNII)
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Record Version |
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-
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94659-43-5
Created by
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5K2CF488XZ
Created by
admin on Sat Dec 16 15:33:21 GMT 2023 , Edited by admin on Sat Dec 16 15:33:21 GMT 2023
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156596521
Created by
admin on Sat Dec 16 15:33:21 GMT 2023 , Edited by admin on Sat Dec 16 15:33:21 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> METABOLITE |