| SpectraBase Spectrum ID |
E16xjxgFpPX |
| Name |
delta1-13,14-Dihydromarrubiagenin methyl ester |
| Alternate Name(s) |
Methyl (4aR,5S,6R,8aS)-5,6,8a-trimethyl-5-(2-(5-oxotetrahydrofuran-3-yl)ethyl)-4a,5,6,7,8,8a-hexahydronaphthalene-1-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O4 |
| InChI |
InChI=1S/C21H30O4/c1-14-8-10-21(3)16(19(23)24-4)6-5-7-17(21)20(14,2)11-9-15-12-18(22)25-13-15/h5-7,14-15,17H,8-13H2,1-4H3/t14-,15?,17-,20+,21-/m1/s1 |
| InChIKey |
RONBOCAWRIJIKY-DCFBGGIKSA-N |
| Molecular Weight |
346.467 g/mol |
| SMILES |
C=1C=C(C(=O)OC)[C@]2(CC[C@]([C@](CCC3CC(=O)OC3)([C@]2(C1)[H])C)(C)[H])C |
| SPLASH |
splash10-0udi-0911000000-628330d4f4f37075739c |
| Source of Spectrum |
K-106-2941-11 |
| Wiley ID |
1793551 |
