(R)-9,10-Dihydro-beta-ergocryptine

Product Specifications

CAS Number

88660-47-3

Synonyms

(R)-9,10-Dihydro-beta-ergocryptine; Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-[(1R)-1-methylpropyl]-, (5'α,10α)- (9CI, ACI); (5'α,10α)-9,10-Dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-[(1R)-1-methylpropyl]ergotaman-3',6',18-trione (ACI); Ergotaman-3',6',18-trio

Hazard Statement

No Data Available

Smiles

CC[C@@H](C)[C@@H]1N2C(=O)[C@](NC(=O)[C@@H]3C[C@H]4[C@@H](Cc5c[nH]c6cccc4c56)N(C)C3)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C

Molecular Formula

C32 H43 N5 O5

Molecular Weight

577.714

InChI

InChI=1S/C32H43N5O5/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/h7,9-10,15,17-18,20,22,24-25,27,33,41H,6,8,11-14,16H2,1-5H3,(H,34,38)/t18-,20-,22-,24-,25+,27+,3