For research use only. Not for therapeutic Use.
Catalog Number | R059787 |
CAS Number | 2854-38-8 |
Synonyms | (5’α)-2’-Ethyl-12’-hydroxy-5’-(phenylmethyl)ergotaman-3’,6’,18-trione; |
Molecular Formula | C34H37N5O5 |
Purity | ≥95% |
Storage | Store at -20°C |
InChI | InChI=1S/C34H37N5O5/c1-3-33(36-30(40)22-16-24-23-11-7-12-25-29(23)21(18-35-25)17-26(24)37(2)19-22)32(42)39-27(15-20-9-5-4-6-10-20)31(41)38-14-8-13-28(38)34(39,43)44-33/h4-7,9-12,16,18,22,26-28,35,43H,3,8,13-15,17,19H2,1-2H3,(H,36,40)/t22-,26-,27+,28+,33-,34+/m1/s1 |
InChIKey | BOLCFGMGGWCOOE-CTTKVJGISA-N |
SMILES | CCC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C |