| SpectraBase Spectrum ID |
HIOEGYVhIBl |
| Name |
21H-Biline-8,12-dipropanoic acid, 18-ethenyl-3-ethylidene-1,2,3,15,16,19,23,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-, dimethyl ester, (R*,R*)-(.+-.)- |
| CAS Registry Number |
71189-93-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C35H42N4O6 |
| InChI |
InChI=1S/C35H42N4O6/c1-9-22-21(6)34(42)39-29(22)16-27-20(5)25(12-14-33(41)45-8)31(37-27)17-30-24(11-13-32(40)44-7)19(4)26(36-30)15-28-18(3)23(10-2)35(43)38-28/h9-10,16-17,21,28,36H,2,11-15H2,1,3-8H3,(H,38,43)(H,39,42)/b22-9+,29-16-,31-17- |
| InChIKey |
OTDUUFIKLRDUFS-AYGACVOZSA-N |
| Molecular Weight |
614.743 g/mol |
| SMILES |
N1C(C(\C(\C1=C/C1=N\C(=C/c2c(c(c(CC3C(=C(C(N3)=O)C=C)C)[nH]2)C)CCC(=O)OC)C(=C1C)CCC(=O)OC)=C\C)C)=O |
| SPLASH |
splash10-0gwf-0606906000-008184c520b06d16e8f1 |
| Source of Spectrum |
K-112-2254-0 |
| Synonyms |
(+)-(2R,16R)-Phycoery throbilin dimethyl ester
Dimethyl ester of(2R,16R)-3-ethyliden-2,7,13,17-tetramethyl-18-vinyl-1,19-dioxo-1,2,3,15,16,19,21,24-octahydro-23H-bilin-8,12-dipropionic acid
Methyl 3-[(2Z)-5-{(Z)-[(3E)-3-ethylidene-4-methyl-5-oxopyrrolidinylidene]methyl}-2-({3-(3-methoxy-3-oxopropyl)-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-2,5-dihydro-1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl}methylene)-4-methyl-2H-pyrrol-3-yl]propanoate |
| Wiley ID |
1411210 |
