nmrshiftdb2http://www.nmrshiftdb.orgnmrshiftdb2 is an open-source, open-access, open-submission, open-content web database for chemical structures and their nuclear magnetic resonance datanmrshiftdb.orgnmrshiftdb-mainz@web.deportal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/20232370Brujavanone ABrujavanone ABrujavanone A2013-04-13T23:46:07+01:00shk3HHWWWWHHHHHHHnmrshiftdb2 20232370100UnreportedPhytochemistry85175-184Shi-Hui Dong, Jia Liu, Ying-Zi Ge, Lei Dong, Cheng-Hui Xu, Jian Ding, Jian-Min YuefalseChemical constituents from Brucea javanica201310.1016/j.phytochem.2012.08.018portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/20231996InChI=1/C9H14/c1-2-7-5-6(1)8-3-4-9(7)8/h6-9H,1-5H2/t6-,7+,8+,9- (INChI), WDCBAELLKZPSQD-OJOKCITNSA-N (InChI Key), C1CC2CC1C3CCC23 (SMILES), [H]C1([H])(C([H])([H])[C\@]2([H])(C\wq([H])([H])[C/@]1([C@]3(C([H])([H])C([H])([H])[C@]23([H])))[H]([H]))) (chiral SMILES)2013-03-04T15:47:52+01:00mainz2WWHHnmrshiftdb2 20231996UnreportedUnreportedportal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/20231623 (INChI), (InChI Key), OC3C(O)C(OC3(n2cnc1c(ncnc12)N))CSC (SMILES), [H]O[C@]1([H])([C@]([H])(n/3c([H])nc2c(nc([H])nc23)N([H])[H])O[C@]([H])(C([H])([H])SC([H])([H])[H])[C@]1(O[H])([H])) (chiral SMILES)2013-02-13T23:03:34+01:00mainz2WWHHnmrshiftdb2 20231623UnreportedUnreportedportal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/2023162225(9→8),26(13→14)Abeo-24-nor-8,14-seco-friedelan-2,3-dihydroxy-1,3,5(10),6,8-pentaen-29(13)-olide25(9→8),26(13→14)Abeo-24-nor-8,14-seco-friedelan-2,3-dihydroxy-1,3,5(10),6,8-pentaen-29(13)-olide25(9→8),26(13→14)Abeo-24-nor-8,14-seco-friedelan-2,3-dihydroxy-1,3,5(10),6,8-pentaen-29(13)-olide2013-02-11T22:02:40+01:00shk3WWWHHHnmrshiftdb2 20231622300UnreportedPhytochemistry75159-168J. Wu; Y. Zhou; L. Wang; J. Zuo; W. ZhaofalseTerpenoids from root bark of Celastrus orbiculatus201210.1016/j.phytochem.2011.11.023