Mrv1652309012222022D 25 29 0 0 1 0 999 V2000 -1.5924 -0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7836 -0.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1441 -0.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2571 -1.6669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6548 -0.4444 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1647 0.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4243 0.5243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1172 1.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9668 1.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2355 0.2260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0597 0.0533 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8045 0.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3564 1.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1634 1.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4186 0.4953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0315 1.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8668 -0.1180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2795 -0.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0864 -0.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1724 0.1600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8867 0.5727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3324 -0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7956 -1.3666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9819 -1.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4669 -1.8668 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 1 0 0 0 7 6 1 1 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 9 1 6 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 0 0 0 0 11 17 1 0 0 0 0 17 18 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 6 0 0 0 11 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 5 24 1 0 0 0 0 24 25 2 0 0 0 0 M END > NP0141667 > NP-MRD > C[C@@]12CCC[C@]3(COC(=O)[C@@]45C[C@@H](CC[C@H]34)C(=C)C5=O)[C@@H]1CO[C@H]2O > InChI=1S/C20H26O5/c1-11-12-4-5-13-19(10-25-17(23)20(13,8-12)15(11)21)7-3-6-18(2)14(19)9-24-16(18)22/h12-14,16,22H,1,3-10H2,2H3/t12-,13-,14-,16-,18-,19-,20+/m1/s1 > COKCKHYUZSETSY-NIQJFZTPSA-N > C20H26O5 > 346.423 > 346.178023937 > 4 > 51 > 36.26374092920683 > 1 > 1 > 0 > 1 > (1R,1'S,3aS,4R,6'R,7aR,9'R)-1-hydroxy-7a-methyl-10'-methylidene-hexahydro-1H-3'-oxaspiro[2-benzofuran-4,5'-tricyclo[7.2.1.0^{1,6}]dodecane]-2',11'-dione > 1.55 > 2.6578912249999997 > -3.20 > 0 > 5 > 0 > 11.95858440012427 > -4.129115183385644 > 72.83000000000001 > 89.33949999999997 > 0 > 1 > 2.19e-01 g/l > (1R,1'S,3aS,4R,6'R,7aR,9'R)-1-hydroxy-7a-methyl-10'-methylidene-hexahydro-3'-oxaspiro[2-benzofuran-4,5'-tricyclo[7.2.1.0^{1,6}]dodecane]-2',11'-dione > 0 > NP0141667 > (1r,1's,3as,4r,6'r,7ar,9'r)-1-hydroxy-7a-methyl-10'-methylidene-hexahydro-3'-oxaspiro[2-benzofuran-4,5'-tricyclo[7.2.1.0¹,⁶]dodecane]-2',11'-dione $$$$