| SpectraBase Spectrum ID |
HoWq4JrRirr |
| Name |
12'-Hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman |
| CAS Registry Number |
511-09-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H41N5O5 |
| InChI |
InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38) |
| InChIKey |
YDOTUXAWKBPQJW-UHFFFAOYSA-N |
| Molecular Weight |
575.710 g/mol |
| SMILES |
OC12OC(C(N2C(C(=O)N2C1CCC2)CC(C)C)=O)(NC(=O)C1C=C2c3c4c(c[nH]c4ccc3)CC2N(C1)C)C(C)C |
| SPLASH |
splash10-00dl-9430000000-66f290f4f100b8f30613 |
| Source of Spectrum |
JZ-1992-1625-0 |
| Synonyms |
(5'.alpha.)-12'-Hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione
.alpha.-Ergocryptine
.alpha.-Ergokryptine
12'-Hydroxy-2'-(1-methylethyl)-5'-.alpha.-(2-methylpropyl)ergotaman-3',6',18-trione
Ergocryptine
Ergocryptinine
Ergokryptine
Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'.alpha.,8.alpha.)-
Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'alpha)-
Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'alpha,8alpha)-
Isoergokryptine
BRN 0078810
EINECS 208-121-2
EINECS 208-122-8
NSC 169479
NSC 407319 |
| Wiley ID |
1408134 |
