CDK 9/10/12,15:49 34 37 0 0 0 0 0 0 0 0999 V2000 2.9917 -3.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -4.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -3.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -4.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 -2.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8583 -3.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7333 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8583 -4.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -4.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5708 -5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 -3.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 -2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4083 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1333 -3.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 0.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0708 -0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -2.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -5.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -1.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9833 -3.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2708 -5.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -5.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5792 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2708 -2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6958 -2.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 11 1 0 0 0 0 9 6 1 0 0 0 0 10 1 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 5 1 0 0 0 0 14 17 1 0 0 0 0 5 15 1 6 0 0 0 9 16 1 6 0 0 0 17 7 1 0 0 0 0 18 16 1 0 0 0 0 19 12 2 0 0 0 0 20 4 2 0 0 0 0 21 19 1 0 0 0 0 22 12 1 0 0 0 0 23 6 2 0 0 0 0 24 15 2 0 0 0 0 25 22 2 0 0 0 0 26 18 2 0 0 0 0 1 27 1 6 0 0 0 2 28 1 6 0 0 0 29 15 1 0 0 0 0 30 18 1 0 0 0 0 31 29 1 0 0 0 0 3 32 1 1 0 0 0 11 33 1 6 0 0 0 7 34 1 1 0 0 0 8 4 1 0 0 0 0 14 2 1 0 0 0 0 13 9 1 0 0 0 0 25 21 1 0 0 0 0 M END > CHEBI:67900 > salvinorin A > A natural product found in Salvia divinorum. > 2 > Divinorin A; (2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(furan-3-yl)-6a,10bdimethyl-4,10-dioxododecahydro-1H-benzo[f]isochromene-7-carboxylate > C23H28O8 > 432.46360 > 432.17842 > 0 > [H][C@]1(C[C@@]2(C)[C@@]([H])(CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]23[H])C(=O)OC)C(=O)O1)c1ccoc1 > InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1 > OBSYBRPAKCASQB-AGQYDFLVSA-N > 83729-01-5 > 83729-01-5 > 21338114 $$$$