| SpectraBase Spectrum ID |
CqR3zb9UVnF |
| Name |
Cadin-2-en-1-.beta.-ol-1-.beta.-D-glucuronopyranoside |
| Alternate Name(s) |
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(((1S,4aS,5S,8S,8aS)-5-isopropyl-3,8-dimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H34O7 |
| InChI |
InChI=1S/C21H34O7/c1-9(2)12-6-5-11(4)15-13(12)7-10(3)8-14(15)27-21-18(24)16(22)17(23)19(28-21)20(25)26/h8-9,11-19,21-24H,5-7H2,1-4H3,(H,25,26)/t11-,12-,13-,14+,15-,16-,17-,18+,19-,21+/m0/s1 |
| InChIKey |
DCPIDRDWRBSZBR-WMQNVCTJSA-N |
| Literature Reference DOI |
10.1002/cjoc.200790313 |
| Molecular Weight |
398.496 g/mol |
| SMILES |
O[C@]1([C@@](O[C@@]([C@]([C@@]1(O)[H])(O)[H])(C(O)=O)[H])(O[C@@]1(C=C(C[C@@]2([C@@]1([C@](CC[C@]2(C(C)C)[H])(C)[H])[H])[H])C)[H])[H])[H] |
| SPLASH |
splash10-0gi0-0539000000-89c0bb886e3d7ad46d38 |
| Source of Spectrum |
CJC-25-1698-1 |
| Wiley ID |
1774388 |
