beta-Ergocryptine

*beta*-Ergocryptine
Names

Other names β-Ergocryptine; beta-Ergokryptine; (5'αS)-sec-Butyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione
Identifiers
IUPHAR/BPS	988
Jmol interactive 3D	Image
PubChem	161309
InChI InChI=1S/C32H41N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,13,15,17-18,20,24-25,27,33,41H,6,8,11-12,14,16H2,1-5H3,(H,34,38)/t18-,20+,24+,25-,27+,31+,32-/m0/s1 Key: YYWXOXLDOMRDHW-SGVWFJRMSA-N
SMILES CC[C@H](C)[C@@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O
Properties
Chemical formula	C₃₂H₄₁N₅O₅
Molar mass	575.71 g·mol⁻¹
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

beta-Ergocryptine (β-ergocryptine) is a natural ergoline alkaloid. It is one of the two isomers of ergocryptine.

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