| SpectraBase Spectrum ID |
IHMtdgPmwKj |
| Name |
2-Oxomarrubiagenin methyl ester |
| Alternate Name(s) |
Methyl (4aR,5S,6R,8aS)-5,6,8a-trimethyl-3-oxo-5-(2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O5 |
| InChI |
InChI=1S/C21H28O5/c1-13-5-7-21(3)16(19(24)25-4)10-15(22)11-17(21)20(13,2)8-6-14-9-18(23)26-12-14/h9-10,13,17H,5-8,11-12H2,1-4H3/t13-,17-,20+,21-/m1/s1 |
| InChIKey |
BLHVVWZXKYRQTM-KSXBUPQJSA-N |
| Molecular Weight |
360.450 g/mol |
| SMILES |
C1(C=C(C(=O)OC)[C@]2(CC[C@]([C@](CCC3=CC(=O)OC3)([C@]2(C1)[H])C)(C)[H])C)=O |
| SPLASH |
splash10-014i-0935000000-18791553f77950489b0a |
| Source of Spectrum |
K-106-2941-9 |
| Wiley ID |
1793562 |
