Mrv1533004181502242D 40 44 0 0 0 0 999 V2000 3.1095 -1.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3931 -2.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -3.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1477 -4.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0513 -3.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9096 -3.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 -2.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2386 -3.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7095 -3.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1032 -3.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9932 -4.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2059 -2.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4895 -3.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3023 -3.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8314 -3.0758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5859 -4.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7350 -2.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4502 -2.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2035 -1.5285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0156 -1.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9565 -0.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 -0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7208 -0.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2524 -0.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0769 -0.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5127 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3373 -0.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5506 -0.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9393 -1.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7638 -1.7449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5034 -2.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6789 -2.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2902 -1.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8543 -2.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4656 -1.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0298 -2.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2052 -2.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8165 -1.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3098 -2.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 2 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 28 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 25 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 20 39 1 0 0 0 0 24 39 1 0 0 0 0 39 40 1 0 0 0 0 M END > NP0176967 > NP-MRD > CC(C(C)C(C)(C)OC(C)=O)C(OC(C)=O)C1(C)OC11C(O)CC2C3CCC4CC(=O)CCC4(C)C3CCC12C > InChI=1S/C33H52O7/c1-18(19(2)29(5,6)39-21(4)35)28(38-20(3)34)32(9)33(40-32)27(37)17-26-24-11-10-22-16-23(36)12-14-30(22,7)25(24)13-15-31(26,33)8/h18-19,22,24-28,37H,10-17H2,1-9H3 > FKEFZHOEVVYKSI-UHFFFAOYSA-N > C33H52O7 > 560.772 > 560.371304014 > 5 > 92 > 62.78607039380677 > 1 > 1 > 0 > 0 > 5-(acetyloxy)-5-{13'-hydroxy-2',3,15'-trimethyl-5'-oxospiro[oxirane-2,14'-tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane]-3-yl}-2,3,4-trimethylpentan-2-yl acetate > 4.60 > 4.638301660333332 > -6.25 > 1 > 5 > 0 > 13.870999353033568 > -3.2926248008385732 > 102.43 > 150.0128 > 8 > 0 > 3.18e-04 g/l > 5-(acetyloxy)-5-{13'-hydroxy-2',3,15'-trimethyl-5'-oxospiro[oxirane-2,14'-tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane]-3-yl}-2,3,4-trimethylpentan-2-yl acetate > 0 > NP0176967 > 5-(acetyloxy)-5-{2-hydroxy-3',9a,11a-trimethyl-7-oxo-dodecahydro-2h-spiro[cyclopenta[a]phenanthrene-1,2'-oxiran]-3'-yl}-2,3,4-trimethylpentan-2-yl acetate $$$$