ERGOSINE

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

Structure Search

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

HIDE SMILES / InChI

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
The influence of ergot-contaminated feed on growth and slaughtering performance, nutrient digestibility and carry over of ergot alkaloids in growing-finishing pigs.	2005 Dec	16429824
Effects of different levels of ergot in concentrates on the growing and slaughtering performance of bulls and on carry-over into edible tissue.	2007 Oct	18030918
Claviceps nigricans and Claviceps grohii: their alkaloids and phylogenetic placement.	2008 Jun	18461998
Determination of ergot alkaloids: purity and stability assessment of standards and optimization of extraction conditions for cereal samples.	2008 Nov-Dec	19202797

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:32:12 GMT 2023` Edited by `admin` on `Sat Dec 16 17:32:12 GMT 2023`
Record UNII	6WF908487H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ERGOSINE

Common Name

English

NSC-122047

Code

English

ERGOSINE [MI]

Common Name

English

Code System Code Type Description

CAS

561-94-4