Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C30H37N5O5 |
| Molecular Weight | 547.6453 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)C[C@@H]1N2C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@@H]4CC5=CNC6=C5C(=CC=C6)C4=C3)O[C@@]2(O)[C@@H]7CCCN7C1=O
InChI
InChIKey=NESVMZOPWPCFAU-ZPRCMDFASA-N
InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22-,23+,24+,29-,30+/m1/s1
| Molecular Formula | C30H37N5O5 |
| Molecular Weight | 547.6453 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Cytotoxicity and accumulation of ergot alkaloids in human primary cells. | 2011-04-11 |
|
| Determination of ergot alkaloids: purity and stability assessment of standards and optimization of extraction conditions for cereal samples. | 2009-02-11 |
|
| Claviceps nigricans and Claviceps grohii: their alkaloids and phylogenetic placement. | 2008-06 |
|
| Simultaneous determination of six major ergot alkaloids and their epimers in cereals and foodstuffs by LC-MS-MS. | 2008-05 |
|
| Effects of different levels of ergot in concentrates on the growing and slaughtering performance of bulls and on carry-over into edible tissue. | 2007-10 |
|
| Mass spectral characterization of ergot alkaloids by electrospray ionization, hydrogen/deuterium exchange, and multiple stage mass spectrometry: Usefulness of precursor ion scan experiments. | 2006 |
|
| The influence of ergot-contaminated feed on growth and slaughtering performance, nutrient digestibility and carry over of ergot alkaloids in growing-finishing pigs. | 2005-12 |
|
| Electrospray[+] tandem quadrupole mass spectrometry in the elucidation of ergot alkaloids chromatographed by HPLC: screening of grass or forage samples for novel toxic compounds. | 2005-11 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 09:16:42 GMT 2025
by
admin
on
Wed Apr 02 09:16:42 GMT 2025
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| Record UNII |
6WF908487H
|
| Record Status |
Validated (UNII)
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| Record Version |
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