74081-46-2 (麦角蛋白-3',6',18-三酮,12'-羟基-2'-(1-甲基乙基)-5'-(苯甲基)-,(2'β,5'α,8α)-,Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (2'β,5'α,8α)-)

CAS号:
74081-46-2
中文名称:
麦角蛋白-3',6',18-三酮,12'-羟基-2'-(1-甲基乙基)-5'-(苯甲基)-,(2'β,5'α,8α)-
英文名称:
Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (2'β,5'α,8α)-
分子式:
C35H39N5O5
分子量:
609.714668512344
植物源:

麦角蛋白-3',6',18-三酮,12'-羟基-2'-(1-甲基乙基)-5'-(苯甲基)-,(2'β,5'α,8α)-(74081-46-2)名称与标识符

名称

英文别名:
Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (2'β,5'α,8α)-;

标识符

InChIKey:
HEFIYUQVAZFDEE-UHFFFAOYSA-N
Inchi:
1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)
SMILES:
CC(C1(C(=O)N2C(C3N(C(C2CC2C=CC=CC=2)=O)CCC3)(O)O1)NC(C1C=C2C(CC3C4C(=CC=CC2=4)NC=3)N(C)C1)=O)C