| SpectraBase Spectrum ID |
8ma99I5pDcH |
| Name |
21H-Biline-3-acetic acid, 17-ethyl-1,2,3,19,23,24-hexahydro-3,7,8,12,13,18,21-heptamethyl-1,19- dioxo-, methyl ester, (4E)-(.+-.)- |
| CAS Registry Number |
90702-40-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H38N4O4 |
| InChI |
InChI=1S/C31H38N4O4/c1-10-21-20(6)30(38)33-24(21)11-22-16(2)17(3)23(32-22)12-25-18(4)19(5)26(35(25)8)13-27-31(7,14-28(36)34-27)15-29(37)39-9/h11-13,32H,10,14-15H2,1-9H3,(H,33,38)/b24-11-,25-12-,26-13- |
| InChIKey |
KMQZWTCKFVJKFD-JPHUQTOJSA-N |
| Molecular Weight |
530.669 g/mol |
| SMILES |
[nH]1c(c(c(c1\C=C/1NC(C(=C1CC)C)=O)C)C)\C=C\1N(\C(=C/C2=NC(=O)CC2(CC(=O)OC)C)C(=C1C)C)C |
| SPLASH |
splash10-02it-5923000000-38c8c99154471d36ca55 |
| Source of Spectrum |
AH-115-110-0 |
| Synonyms |
Methyl (5-{(Z)-[(5Z)-5-({5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrol-2-yl}methylene)-1,3,4-trimethyl-1,5-dihydro-2H-pyrrol-2-ylidene]methyl}-4-methyl-2-oxo-3,4-dihydro-2H-pyrrol-4-yl)acetate
rac-(4Z,10Z,15Z)- and rac-(4E,10Z,15Z)-17-ethyl-1,19-dioxo-3-methoxycarbonylmethyl-3,7,8,12,13,18,21-heptamethyl-1,2,3,19,22,24-hexahydro-21H-bilin |
| Wiley ID |
1403359 |
