Mrv1652309032208342D 25 29 0 0 1 0 999 V2000 0.1757 0.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9723 0.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6452 0.8090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4381 1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1341 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9894 -0.1942 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1834 -0.5534 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9550 0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2048 -1.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4852 -1.8091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9057 -1.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6420 -1.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6885 -0.6503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8258 0.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4587 0.9021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6419 0.2840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0090 -0.4548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4197 -1.0322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5405 -1.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3076 -2.1518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4653 0.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2810 0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8600 0.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2837 -0.5523 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8154 -1.2315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 3 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 6 13 1 0 0 0 0 13 14 1 1 0 0 0 14 15 2 0 0 0 0 16 14 1 6 0 0 0 17 16 1 1 0 0 0 17 18 1 0 0 0 0 13 18 1 0 0 0 0 18 19 1 1 0 0 0 19 20 1 0 0 0 0 17 21 1 0 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 7 24 1 0 0 0 0 2 24 1 0 0 0 0 24 25 1 6 0 0 0 M END > NP0170408 > NP-MRD > CC1(C)[C@H]2[C@@H]1C(=O)[C@]1(COC(=O)[C@@]34C[C@@H](CC[C@@H]13)C(=C)[C@H]4O)[C@@H]2CO > InChI=1S/C20H26O5/c1-9-10-4-5-12-19(6-10,15(9)22)17(24)25-8-20(12)11(7-21)13-14(16(20)23)18(13,2)3/h10-15,21-22H,1,4-8H2,2-3H3/t10-,11-,12-,13-,14-,15-,19+,20-/m1/s1 > QQYOAJNFMASILS-JKRWLICGSA-N > C20H26O5 > 346.423 > 346.178023937 > 4 > 51 > 36.59853536031716 > 1 > 2 > 0 > 1 > (1R,1'S,2R,3S,5S,6'S,9'R,11'R)-11'-hydroxy-2-(hydroxymethyl)-6,6-dimethyl-10'-methylidene-3'-oxaspiro[bicyclo[3.1.0]hexane-3,5'-tricyclo[7.2.1.0^{1,6}]dodecane]-2',4-dione > 0.74 > 1.0314869220000007 > -2.26 > 0 > 5 > 0 > 15.434566451496764 > 13.878727404997036 > -2.614239296948191 > 83.83000000000001 > 89.47359999999999 > 1 > 1 > 1.90e+00 g/l > (1R,1'S,2R,3S,5S,6'S,9'R,11'R)-11'-hydroxy-2-(hydroxymethyl)-6,6-dimethyl-10'-methylidene-3'-oxaspiro[bicyclo[3.1.0]hexane-3,5'-tricyclo[7.2.1.0^{1,6}]dodecane]-2',4-dione > 0 > NP0170408 > (1r,1's,2r,3s,5s,6's,9'r,11'r)-11'-hydroxy-2-(hydroxymethyl)-6,6-dimethyl-10'-methylidene-3'-oxaspiro[bicyclo[3.1.0]hexane-3,5'-tricyclo[7.2.1.0¹,⁶]dodecane]-2',4-dione $$$$