Mrv1533004241508522D 27 33 0 0 0 0 999 V2000 3.4903 -2.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8260 -1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7956 -1.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0497 -0.8094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3007 -1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2408 -0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9682 -0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5387 0.6619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7092 -0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3586 -1.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3358 -0.9437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1056 -1.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7165 -2.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5434 -2.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6437 -2.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8967 -3.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9752 -4.2519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2175 -2.8985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2035 -2.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9944 -1.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9131 -0.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1442 -0.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4695 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7423 -1.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8608 -1.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -1.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2787 -1.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 10 19 1 0 0 0 0 19 20 1 0 0 0 0 13 20 1 0 0 0 0 20 21 1 0 0 0 0 11 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 9 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 6 25 1 0 0 0 0 25 26 2 0 0 0 0 23 27 1 0 0 0 0 5 27 1 0 0 0 0 19 27 1 0 0 0 0 M END > NP0175342 > NP-MRD > CC(=O)OC1C2C34CC5C6C7(C)CN5C(C3C(O)C1C(=C)C4)C26CC(O)C7 > InChI=1S/C22H29NO4/c1-9-4-21-7-12-17-20(3)5-11(25)6-22(17)18(21)16(27-10(2)24)13(9)15(26)14(21)19(22)23(12)8-20/h11-19,25-26H,1,4-8H2,2-3H3 > OUCIDOJTOCHGNM-UHFFFAOYSA-N > C22H29NO4 > 371.477 > 371.209658418 > 4 > 56 > 40.2260432982539 > 1 > 2 > 0 > 0 > 3,10-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-19-yl acetate > 0.39 > -0.48163918166666747 > -1.89 > 0 > 7 > 1 > 15.291588923727165 > 14.404378084213803 > 9.18040954822326 > 70.0 > 97.61009999999999 > 2 > 1 > 4.79e+00 g/l > 3,10-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-19-yl acetate > 0 > NP0175342 > 3,10-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-19-yl acetate $$$$