Mrv1533004241516082D 23 26 0 0 0 0 999 V2000 3.8136 -1.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1184 -0.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8017 -1.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6765 -0.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4294 0.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6242 0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3771 1.3831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0661 -0.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8257 0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3132 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7596 -1.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9506 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6469 -0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1726 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4028 0.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0916 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8292 0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7854 -0.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1637 -0.8483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1586 1.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1153 1.9696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0038 1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2474 0.1857 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 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 2 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 14 15 1 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 2 0 0 0 0 13 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 8 23 1 0 0 0 0 13 23 1 0 0 0 0 M END > NP0252289 > NP-MRD > CC1(C)CCC(O)C2(C)C3CC(O)C4(CO)CC3(CCC12)C=C4 > InChI=1S/C20H32O3/c1-17(2)6-5-15(22)18(3)13(17)4-7-19-8-9-20(11-19,12-21)16(23)10-14(18)19/h8-9,13-16,21-23H,4-7,10-12H2,1-3H3 > LXFVJPXFMHKULK-UHFFFAOYSA-N > C20H32O3 > 320.473 > 320.23514489 > 3 > 55 > 37.161244388332904 > 1 > 3 > 0 > 1 > 13-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene-8,12-diol > 2.43 > 1.8724970526666658 > -3.47 > 0 > 4 > 0 > 15.223227052465258 > 14.427514126422228 > -0.5018667767247559 > 60.69 > 91.71769999999998 > 1 > 1 > 1.08e-01 g/l > 13-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene-8,12-diol > 0 > NP0252289 > 13-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene-8,12-diol $$$$