Mrv1652309022207132D 25 28 0 0 1 0 999 V2000 0.0435 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8566 -0.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4794 0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2893 0.0832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5946 0.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4039 1.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9582 0.4175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7638 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4599 1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3206 -0.0133 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1262 0.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0719 -0.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2663 -0.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7095 -0.3691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4700 -1.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8883 -0.5708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6431 -1.4156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1975 -2.0266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9456 -2.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -3.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1393 -2.9868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7976 -1.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2377 -0.9152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8140 -0.4494 0.0000 C 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 5 6 1 0 0 0 0 7 6 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 7 15 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 0 0 0 0 17 4 1 6 0 0 0 17 18 1 0 0 0 0 18 19 1 1 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 18 23 1 0 0 0 0 23 24 1 0 0 0 0 2 24 1 0 0 0 0 24 25 1 6 0 0 0 4 25 1 6 0 0 0 M END > NP0149343 > NP-MRD > CC(=O)O[C@H]1C[C@@H]2C[C@]3(CC2=C)CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@H]13 > InChI=1S/C22H34O3/c1-13-11-22-9-6-17-20(3,4)18(24)7-8-21(17,5)19(22)16(25-14(2)23)10-15(13)12-22/h15-19,24H,1,6-12H2,2-5H3/t15-,16+,17-,18-,19+,21-,22-/m1/s1 > ABGWGFPVMQTTRH-SWLVUXJMSA-N > C22H34O3 > 346.511 > 346.250794955 > 2 > 59 > 40.16206405690863 > 1 > 1 > 0 > 1 > (1S,4S,6R,9R,10R,11S,13S)-6-hydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-11-yl acetate > 3.39 > 3.5176877116666683 > -5.23 > 0 > 4 > 0 > 19.489432518294063 > -0.8351219216511884 > 46.53 > 97.9059 > 2 > 1 > 2.05e-03 g/l > (1S,4S,6R,9R,10R,11S,13S)-6-hydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-11-yl acetate > 0 > NP0149343 > (1s,4s,6r,9r,10r,11s,13s)-6-hydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-11-yl acetate $$$$