| SpectraBase Spectrum ID |
1h3Kl85dLIn |
| Name |
13,14-Dihydromarrubiagenin |
| Alternate Name(s) |
(4aR,5S,6R,8aS)-5,6,8a-trimethyl-5-(2-(5-oxotetrahydrofuran-3-yl)ethyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H30O4 |
| InChI |
InChI=1S/C20H30O4/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/h5,13-14,16H,4,6-12H2,1-3H3,(H,22,23)/t13-,14?,16-,19+,20-/m1/s1 |
| InChIKey |
ADMUMPSVQUEYSC-ZGJVNLKQSA-N |
| Literature Reference DOI |
10.1002/cber.19731060923 |
| Molecular Weight |
334.456 g/mol |
| SMILES |
OC(C1=CCC[C@@]2([C@]([C@@](CC[C@]12C)(C)[H])(CCC1CC(=O)OC1)C)[H])=O |
| SPLASH |
splash10-0uxr-0359000000-998b334075a2389d677e |
| Source of Spectrum |
K-106-2939-5 |
| Wiley ID |
1793558 |
