| SpectraBase Spectrum ID |
6BncuabWSXN |
| Name |
Metachromin G |
| Alternate Name(s) |
3-[(E)-5-((1R,3R)-1,3-Dimethyl-2-methylene-cyclohexyl)-3-methyl-pent-2-enyl]-2-hydroxy-5-phenethylamino-[1,4]benzoquinone
3-{(2E)-5-[(1R,3R)-1,3-dimethyl-2-methylenecyclohexyl]-3-methyl-2-pentenyl}-2-hydroxy-5-[(2-phenylethyl)amino]benzo-1,4-quinone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H37NO3 |
| InChI |
InChI=1S/C29H37NO3/c1-20(14-17-29(4)16-8-9-21(2)22(29)3)12-13-24-27(32)25(19-26(31)28(24)33)30-18-15-23-10-6-5-7-11-23/h5-7,10-12,19,21,30,33H,3,8-9,13-18H2,1-2,4H3/b20-12+/t21-,29-/m1/s1 |
| InChIKey |
LALPXZPYBKOUEK-IHFHYTMCSA-N |
| Molecular Weight |
447.619 g/mol |
| SMILES |
N(C=1C(C(=C(C(C1)=O)O)C\C=C\(CC[C@@]1(C(=C)[C@](C)(CCC1)[H])C)C)=O)CCc1ccccc1 |
| SPLASH |
splash10-0a4j-2953800000-414a575e0f1bc12666ab |
| Source of Spectrum |
J-57-5776-4 |
| Wiley ID |
1386992 |
