| SpectraBase Spectrum ID |
jlxYrVtgq5 |
| Name |
Marrubiine |
| Alternate Name(s) |
(2aS,5aS,6R,7R,8aR,8bR)-6-[2-(3-furyl)ethyl]-6-hydroxy-2a,5a,7-trimethyldecahydro-2H-naphtho[1,8-bc]furan-2-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28O4 |
| InChI |
InChI=1S/C20H28O4/c1-13-11-15-16-18(2,17(21)24-15)7-4-8-19(16,3)20(13,22)9-5-14-6-10-23-12-14/h6,10,12-13,15-16,22H,4-5,7-9,11H2,1-3H3/t13-,15-,16+,18+,19+,20-/m1/s1 |
| InChIKey |
HQLLRHCTVDVUJB-OBHOOXMTSA-N |
| Molecular Weight |
332.440 g/mol |
| SMILES |
O[C@]1([C@@]2([C@@]3([C@](C(=O)O[C@]3([H])C[C@]1(C)[H])(C)CCC2)[H])C)CCc1cocc1 |
| SPLASH |
splash10-001i-6914000000-15278fc8b749dbc37bd7 |
| Source of Spectrum |
Va-0-0-0 |
| Wiley ID |
738951 |
