Setoclavine

Setoclavine
Names
	IUPAC name 6,8β-Dimethyl-9,10-didehydroergolin-8α-ol
	Systematic IUPAC name (6aR,9S)-7,9-Dimethyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-ol
Identifiers
CAS Number	519-12-0 ;
3D model (JSmol)	Interactive image;
ChemSpider	9657036;
PubChem CID	11482216;
UNII	UE9HT9P885 ;
CompTox Dashboard (EPA)	DTXSID301256140 ;
	InChI InChI=1S/C16H18N2O/c1-16(19)7-12-11-4-3-5-13-15(11)10(8-17-13)6-14(12)18(2)9-16/h3-5,7-8,14,17,19H,6,9H2,1-2H3/t14-,16+/m1/s1 Key: BGVUWLLRNRBDAY-ZBFHGGJFSA-N;
	SMILES O[C@]3(/C=C2/c4cccc1c4c(c[nH]1)C[C@H]2N(C3)C)C;
Properties
Chemical formula	C16H18N2O
Molar mass	254.333 g·mol−1
Appearance	prisms
Melting point	229 to 234 °C (444 to 453 °F; 502 to 507 K)
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Setoclavine is an ergot alkaloid.^[2]

References

^ J. E. Saxton (1960). "The Indole Alkaloids". In The Alkaloids, Vol. VII, (R. H. F. Manske, Ed.), pp. 4-183, New York: Academic Press.
^ Liras, S; Lynch, CL; Fryer, AM; Vu, BT; Martin, SF (2001). "Applications of vinylogous Mannich reactions. Total syntheses of the Ergot alkaloids rugulovasines a and B and setoclavine". Journal of the American Chemical Society. 123 (25): 5918–24. doi:10.1021/ja010577w. PMID 11414824.

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