Details
Stereochemistry | EPIMERIC |
Molecular Formula | C45H54N4O9 |
Molecular Weight | 794.9317 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 8 / 9 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12N3CC[C@@]14C5=CC(=C(OC)C=C5N(C)[C@@]4([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC)[C@]6(C[C@H]7C[N+]([O-])(CC(CC)=C7)CC8=C6NC9=C8C=CC=C9)C(=O)OC
InChI
InChIKey=LPTZKBCHESZBOM-LCJOUJNQSA-N
InChI=1S/C45H54N4O9/c1-8-27-19-28-22-44(40(51)56-6,36-30(25-49(54,23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)55-5)47(4)38-43(31)16-18-48-17-12-15-42(9-2,37(43)48)39(58-26(3)50)45(38,53)41(52)57-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37-,38+,39+,42+,43+,44-,45-,49?/m0/s1
Approval Year
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Code System | Code | Type | Description | ||
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1032390-76-3
Created by
admin on Sat Dec 16 15:04:29 GMT 2023 , Edited by admin on Sat Dec 16 15:04:29 GMT 2023
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PRIMARY | |||
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7E57MEP1M9
Created by
admin on Sat Dec 16 15:04:29 GMT 2023 , Edited by admin on Sat Dec 16 15:04:29 GMT 2023
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PRIMARY | |||
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154572866
Created by
admin on Sat Dec 16 15:04:29 GMT 2023 , Edited by admin on Sat Dec 16 15:04:29 GMT 2023
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PRIMARY |
PARENT (METABOLITE)
SUBSTANCE RECORD