| SpectraBase Spectrum ID |
46BW7Lv8e8 |
| Name |
(3R,4S,5S,7S,8R,9S,10R,11R)-7,8,9-Triacetyloxy-2,2-dideuteriolongipinan-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28D2O7 |
| InChI |
InChI=1S/C21H30O7/c1-9-8-13(25)15-16-14(9)21(15,7)19(28-12(4)24)17(26-10(2)22)18(20(16,5)6)27-11(3)23/h9,14-19H,8H2,1-7H3/t9-,14+,15+,16-,17-,18-,19-,21+/m1/s1/i8D2 |
| InChIKey |
KFBRWVYCPAZNML-FXEICSTNSA-N |
| Instrument Name |
Hewlett-Packard 5989A or Hewlett Packard 5989B or Saturn 2000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0201570 |
| Molecular Weight |
396.476 g/mol |
| SMILES |
[C@]12([C@]3(C([C@@]([C@]([C@]([C@]2(C)[C@]3(C(C([C@]1(C)[H])([D])[D])=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(C)C)[H])[H] |
| SPLASH |
splash10-001j-9410000000-ea3df40cd1c9d57443e6 |
| Source of Spectrum |
G4-65-1544-11 |
| Wiley ID |
1883469 |
