Ketcher 09181715352D 1 1.00000 0.00000 0 34 37 0 1 0 999 V2000 6.5326 -33.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6611 -33.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6611 -34.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5326 -35.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4043 -34.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4043 -33.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2759 -33.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2759 -35.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1475 -34.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1475 -33.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0294 -36.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0358 -36.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4043 -32.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4043 -35.5170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1475 -31.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2759 -32.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0119 -30.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1402 -30.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2685 -30.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0119 -29.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -28.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2686 -29.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3969 -30.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5253 -30.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5253 -29.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3969 -28.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2685 -31.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6536 -28.5903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7894 -35.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2686 -28.2084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8835 -30.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0191 -33.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8937 -27.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9002 -27.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 6 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 7 10 1 0 0 0 5 8 1 0 0 0 7 6 1 0 0 0 4 11 1 0 0 0 4 12 1 0 0 0 6 13 1 1 0 0 5 14 1 6 0 0 15 16 1 0 0 0 17 18 1 0 0 0 18 15 1 6 0 0 7 16 1 1 0 0 20 21 1 0 0 0 21 22 1 0 0 0 19 22 1 0 0 0 17 20 1 0 0 0 19 18 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 19 23 1 0 0 0 22 26 1 0 0 0 19 27 1 6 0 0 25 28 1 6 0 0 3 29 1 1 0 0 22 30 1 1 0 0 17 31 2 0 0 0 10 32 2 0 0 0 33 26 1 0 0 0 34 26 1 0 0 0 M END > CHEBI:138303 > alpha-onocerin > A triterpenoid that is ethane in which each carbon has been substituted by a (1R,4aR,6S,8aS)-6-hydroxy-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl group. > 3 > alpha-onocerin; 8,14-secogammacera-8(26),14(27)-diene-3beta,21alpha-diol; (3beta,21alpha)-8,14-secogammacera-8(26),14(27)-diene-3,21-diol; (+)-alpha-onocerin > (2S,4aR,5S,8aR)-5-{2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl]ethyl}-1,1,4a-trimethyl-6-methylenedecahydronaphthalen-2-ol > C30H50O2 > 442.718 > 442.38108 > 0 > C1C[C@@H](C([C@]2([C@]1([C@H](C(CC2)=C)CC[C@H]3C(CC[C@@]4([C@@]3(CC[C@@H](C4(C)C)O)C)[H])=C)C)[H])(C)C)O > InChI=1S/C30H50O2/c1-19-9-13-23-27(3,4)25(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-24-28(5,6)26(32)16-18-30(22,24)8/h21-26,31-32H,1-2,9-18H2,3-8H3/t21-,22-,23-,24-,25-,26-,29+,30+/m0/s1 > GESZMTVZGWZBPW-IHIDZKKCSA-N > 511-01-3 > 2631686 > 511-01-3 > C00033631 > CPD-20475 > 10821066; 11118995; 11945584; 12236742; 12677532; 14011217; 16320206; 16872152; 20055158; 26663356 $$$$