Mrv1652309072219152D 25 28 0 0 1 0 999 V2000 7.1758 1.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3706 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8124 1.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1235 0.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3183 -0.0116 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0712 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 -0.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7079 -0.3708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4675 -1.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9549 0.4163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4013 1.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5923 0.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2888 0.0848 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4780 0.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8565 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0431 -0.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -0.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2392 -0.9158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8005 -1.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6457 -1.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8891 -0.5680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8145 -0.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7601 0.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6088 1.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3478 1.1749 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 5 4 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 6 0 0 0 8 10 1 0 0 0 0 10 11 1 6 0 0 0 11 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 15 16 1 0 0 0 0 16 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 20 1 6 0 0 0 8 21 1 0 0 0 0 13 21 1 0 0 0 0 18 22 1 6 0 0 0 13 22 1 6 0 0 0 10 23 1 0 0 0 0 5 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 M END > NP0253400 > NP-MRD > CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@@H]2C1(C)C)C=C4CO > InChI=1S/C22H34O3/c1-14(24)25-19-8-9-21(4)17(20(19,2)3)7-10-22-11-15(5-6-18(21)22)16(12-22)13-23/h12,15,17-19,23H,5-11,13H2,1-4H3/t15-,17-,18+,19-,21-,22+/m1/s1 > AWZPBJFLHAFGDK-KYRPMQACSA-N > C22H34O3 > 346.511 > 346.250794955 > 2 > 59 > 40.94185792974334 > 1 > 1 > 0 > 1 > (1S,4S,6R,9S,10S,13R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadec-14-en-6-yl acetate > 3.4877476816666677 > 0 > 4 > 0 > 17.09754083117845 > -1.881332364470786 > 46.53 > 99.16059999999999 > 3 > 1 > (1S,4S,6R,9S,10S,13R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadec-14-en-6-yl acetate > 0 > NP0253400 > (1s,4s,6r,9s,10s,13r)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-6-yl acetate $$$$