| SpectraBase Spectrum ID |
zc6J8XJeK4 |
| Name |
21H-Biline-8-propanoic acid, 3-ethyl-1,17,18,19,22,24-hexahydro-2,7,12,13,17,17-hexamethyl-1,19-dioxo-, hexadecyl ester |
| Alternate Name(s) |
(Z,Z,Z)-1,19-dioxo-3,3,7,8,13,18-hexamethyl-17-ethyl-12-(hexadecyloxycarbonyl-2-ethyl)-1,2,3,19,23,24-hexahydro-21H-biline
Hexadecyl 3-{2-((Z)-{5-[(Z)-(3,3-dimethyl-5-oxo-2-pyrrolidinylidene)methyl]-3,4-dimethyl-2H-pyrrol-2-ylidene}methyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl}propanoate |
| CAS Registry Number |
109273-90-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C46H68N4O4 |
| InChI |
InChI=1S/C46H68N4O4/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-23-26-54-44(52)25-24-36-33(5)38(28-40-35(10-2)34(6)45(53)49-40)48-41(36)27-37-31(3)32(4)39(47-37)29-42-46(7,8)30-43(51)50-42/h27-29,48H,9-26,30H2,1-8H3,(H,49,53)(H,50,51)/b37-27-,40-28-,42-29- |
| InChIKey |
WJADEUXGMFYEPZ-XOZANVLDSA-N |
| Molecular Weight |
741.074 g/mol |
| SMILES |
N1C(CC(\C1=C/C1=N\C(=C/c2c(c(c(\C=C/3NC(C(=C3CC)C)=O)[nH]2)C)CCC(=O)OCCCCCCCCCCCCCCCC)C(=C1C)C)(C)C)=O |
| SPLASH |
splash10-0006-0010000900-0368b99a4be9ef139613 |
| Source of Spectrum |
AH-117-1084-4 |
| Wiley ID |
1416113 |
