| SpectraBase Spectrum ID |
EZJHMDf9IFq |
| Name |
3,4,13,14-Tetrahydromarrubiagenin |
| Alternate Name(s) |
(4aR,5S,6R,8aS)-5,6,8a-trimethyl-5-(2-(5-oxotetrahydrofuran-3-yl)ethyl)decahydronaphthalene-1-carboxylic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H32O4 |
| InChI |
InChI=1S/C20H32O4/c1-13-7-9-20(3)15(18(22)23)5-4-6-16(20)19(13,2)10-8-14-11-17(21)24-12-14/h13-16H,4-12H2,1-3H3,(H,22,23)/t13-,14?,15?,16-,19+,20-/m1/s1 |
| InChIKey |
CDXLGMMDDGSKMK-YWFXUMJFSA-N |
| Molecular Weight |
336.472 g/mol |
| SMILES |
OC(C1CCC[C@@]2([C@]([C@@](CC[C@]12C)(C)[H])(CCC1CC(=O)OC1)C)[H])=O |
| SPLASH |
splash10-0adi-0491000000-b3a13330b14bef9e3ee3 |
| Source of Spectrum |
K-106-2940-7 |
| Wiley ID |
1793560 |
