Mrv1533004191522172D 25 28 0 0 0 0 999 V2000 4.2471 2.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0624 1.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 1.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8814 1.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5034 1.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2837 1.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4421 0.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0641 1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2224 0.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3807 -0.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1506 -0.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7587 -0.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9784 -0.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8200 0.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0397 0.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -0.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3186 -0.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9707 -0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1518 -0.6713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9935 0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2454 0.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7146 0.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1106 1.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8064 -1.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6313 -1.1167 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 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 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 7 14 1 0 0 0 0 14 15 1 0 0 0 0 4 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 2 22 1 0 0 0 0 17 22 1 0 0 0 0 22 23 1 0 0 0 0 10 24 1 0 0 0 0 24 25 2 0 0 0 0 M END > NP0329906 > NP-MRD > CC1(C)C2CCC3(C)OC(C)(CCC3C2(C)C2COC(=O)C12O)C=C > InChI=1S/C21H32O4/c1-7-18(4)10-8-14-19(5,25-18)11-9-13-17(2,3)21(23)15(20(13,14)6)12-24-16(21)22/h7,13-15,23H,1,8-12H2,2-6H3 > CHSJHRGRADQFEP-UHFFFAOYSA-N > C21H32O4 > 348.483 > 348.23005951 > 3 > 57 > 38.49259062983079 > 1 > 1 > 0 > 1 > 5-ethenyl-12-hydroxy-1,5,7,11,11-pentamethyl-6,14-dioxatetracyclo[8.6.0.0²,⁷.0¹²,¹⁶]hexadecan-13-one > 3.77 > 3.163634547999999 > -4.90 > 0 > 4 > 0 > 11.791601631579544 > -4.202153446347105 > 55.760000000000005 > 95.32099999999998 > 1 > 1 > 4.43e-03 g/l > 5-ethenyl-12-hydroxy-1,5,7,11,11-pentamethyl-6,14-dioxatetracyclo[8.6.0.0²,⁷.0¹²,¹⁶]hexadecan-13-one > 0 > NP0329906 > 5-ethenyl-12-hydroxy-1,5,7,11,11-pentamethyl-6,14-dioxatetracyclo[8.6.0.0²,⁷.0¹²,¹⁶]hexadecan-13-one $$$$