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
[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N3C(=O)[C@](C)(NC(=O)[C@H]4CN(C)[C@]5([H])CC6=CNC7=CC=CC(=C67)C5=C4)O[C@@]23O
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
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| 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 Nov |
|
| Cytotoxicity and accumulation of ergot alkaloids in human primary cells. | 2011 Apr 11 |
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561-94-4
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C030041
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105137
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122047
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6WF908487H
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209-226-6
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4823
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DTXSID50893989
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m4983
Created by
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PRIMARY | Merck Index |
SUBSTANCE RECORD
