beta-Ergocryptinine

• Synonyms:

  beta-Ergocryptinine; beta-Ergocryptinine; (5'α,10α)-12'-Hydroxy-2'-(1-methylethyl)-5'-[(1S)-1-methylpropyl]ergotaman-3',6',18-trione (ACI); Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(1-methylpropyl)-, [5'α(S),8α]- (ZCI); β-Ergocryptinine (8CI); β-Ergokrypti

• Hazard Statement:

  Toxic if swallowed; UN number: UN1544; Packing Group: III

• Smiles:

  CC[C@H](C)[C@@H]1N2C(=O)[C@](NC(=O)[C@@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C

• Molecular Formula:

  C32 H41 N5 O5

• Molecular Weight:

  575.698

• 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

• Shipping Conditions:

  Room Temperature

• CAS Number:

  19467-61-9