Mrv1652309122217132D 26 29 0 0 1 0 999 V2000 0.0432 -0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8565 -0.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4782 0.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3407 1.2795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2888 0.0848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8893 -0.5679 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6457 -1.4132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2014 -2.0230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8005 -1.5737 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5266 -2.3519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2392 -0.9157 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8145 -0.4489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3846 -1.0452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 -0.3707 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4676 -1.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2661 -0.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0713 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3184 -0.0115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1236 0.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7603 0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4555 1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4436 1.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9551 0.4164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4015 1.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5925 0.8721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0585 1.5009 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 5 3 1 1 0 0 0 6 5 1 6 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 11 2 1 1 0 0 0 11 12 1 0 0 0 0 5 12 1 0 0 0 0 12 13 1 6 0 0 0 6 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 14 23 1 0 0 0 0 23 24 1 6 0 0 0 24 25 1 0 0 0 0 5 25 1 0 0 0 0 25 26 1 6 0 0 0 M END > NP0330149 > NP-MRD > CC1(C)[C@H](O)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@]13[C@H](O)[C@@H]([C@@H](O)[C@H](O)[C@@H]21)C(=C)C3=O > InChI=1S/C20H30O6/c1-8-12-13(23)14(24)15-19(4)6-5-10(21)18(2,3)9(19)7-11(22)20(15,16(8)25)17(12)26/h9-15,17,21-24,26H,1,5-7H2,2-4H3/t9-,10-,11-,12-,13-,14+,15+,17-,19-,20-/m1/s1 > LHHUTHDDJUCFLY-NDPAXDDUSA-N > C20H30O6 > 366.454 > 366.204238686 > 6 > 56 > 38.5346002569028 > 1 > 5 > 0 > 0 > (1R,2R,4S,6R,9R,10S,11R,12R,13S,16R)-2,6,11,12,16-pentahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-15-one > -0.4958019799999993 > 0 > 4 > 0 > 14.015970654867957 > 13.371023748706175 > -0.8351409961983814 > 118.22000000000001 > 93.7161 > 0 > 1 > (1R,2R,4S,6R,9R,10S,11R,12R,13S,16R)-2,6,11,12,16-pentahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-15-one > 0 > NP0330149 > (1r,2r,4s,6r,9r,10s,11r,12r,13s,16r)-2,6,11,12,16-pentahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-one $$$$