| SpectraBase Spectrum ID |
LkiC9TkFrqi |
| Name |
12'-Hydroxy-2',5'-diisopropyl-3',6',18-trioxoergotaman |
| Alternate Name(s) |
(5'.alpha.)-12'-Hydroxy-2',5'-bis(1-methylethyl)ergotaman-3',6',18-trione
12'-Hydroxy-2',5'-.alpha.-bis(1-methylethyl)ergotaman-3',6',18-trione
Ergocornin
Ergocornine
Ergocorninin
Ergotaman-3',6',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'-alpha)-
BRN 0078784
EINECS 209-272-7
NSC 407316 |
| CAS Registry Number |
564-36-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H39N5O5 |
| InChI |
InChI=1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37) |
| InChIKey |
UJYGDMFEEDNVBF-UHFFFAOYSA-N |
| Molecular Weight |
561.683 g/mol |
| SMILES |
OC12OC(C(N2C(C(C)C)C(=O)N2C1CCC2)=O)(NC(=O)C1C=C2c3c4c(c[nH]c4ccc3)CC2N(C1)C)C(C)C |
| SPLASH |
splash10-0fdo-9320000000-b298e158763800a35a04 |
| Source of Spectrum |
JZ-1992-1623-0 |
| Wiley ID |
1406836 |
