Mrv1652304292208292D 39 45 0 0 1 0 999 V2000 -0.4148 1.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3831 0.4239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0812 -0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0494 -0.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3196 -1.2248 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5860 -0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0347 0.1877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8756 -0.3803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3785 -0.7851 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8597 -1.4553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3467 0.0392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0448 0.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3593 0.3222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7748 1.0349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7416 -0.4089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1843 0.3188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6012 1.0307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6021 -0.4029 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0156 -1.1168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4271 -0.4017 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0135 0.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8385 0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6635 0.3146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0749 1.0297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0770 -0.3992 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9020 -0.3980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3702 -0.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1525 -1.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -1.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 -1.1206 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8078 -1.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1906 -1.1180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2787 -1.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -1.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8406 -1.1155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2542 -1.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6656 -1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -1.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 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 6 0 0 0 6 7 1 0 0 0 0 8 7 1 6 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 2 11 1 0 0 0 0 11 12 1 6 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 6 0 0 0 13 16 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 6 0 0 0 16 18 1 0 0 0 0 18 19 1 1 0 0 0 18 20 1 0 0 0 0 20 21 1 6 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 25 26 1 6 0 0 0 6 27 2 0 0 0 0 5 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 8 30 1 0 0 0 0 30 31 1 1 0 0 0 30 32 1 0 0 0 0 18 32 1 0 0 0 0 32 33 1 6 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 20 36 1 0 0 0 0 36 37 1 1 0 0 0 36 38 1 0 0 0 0 25 38 1 0 0 0 0 38 39 2 0 0 0 0 M END > NP0086131 > NP-MRD > [H][C@@]12O[C@]1([H])[C@]13OC(=O)[C@@]4(CC[C@@H](C)[C@H](C)[C@@]14[H])CC[C@@]3(C)[C@]1(C)CC[C@@]3([H])C(=C)[C@@H](O)[C@H](O)C[C@]3(C)[C@@]21[H] > InChI=1S/C29H42O5/c1-14-7-10-28-12-11-27(6)26(5)9-8-17-16(3)19(31)18(30)13-25(17,4)22(26)20-23(33-20)29(27,34-24(28)32)21(28)15(14)2/h14-15,17-23,30-31H,3,7-13H2,1-2,4-6H3/t14-,15+,17+,18-,19-,20+,21-,22-,23+,25+,26-,27+,28+,29-/m1/s1 > CGDNMHCUSPXQHB-ASWZSIAWSA-N > C29H42O5 > 470.65 > 470.303224452 > 4 > 76 > 53.453805254911515 > 1 > 2 > 0 > 0 > (1S,2S,4S,5R,6S,8R,9R,11R,14R,15S,18S,21R,22S,23R)-8,9-dihydroxy-6,14,15,21,22-pentamethyl-10-methylidene-3,24-dioxaheptacyclo[16.5.2.0^{1,15}.0^{2,4}.0^{5,14}.0^{6,11}.0^{18,23}]pentacosan-25-one > 3.71 > 3.937763530999999 > -5.37 > 0 > 7 > 0 > 15.083144303334613 > 13.510667631585939 > -3.1820960231969693 > 79.28999999999999 > 126.60669999999999 > 0 > 1 > 2.00e-03 g/l > (1S,2S,4S,5R,6S,8R,9R,11R,14R,15S,18S,21R,22S,23R)-8,9-dihydroxy-6,14,15,21,22-pentamethyl-10-methylidene-3,24-dioxaheptacyclo[16.5.2.0^{1,15}.0^{2,4}.0^{5,14}.0^{6,11}.0^{18,23}]pentacosan-25-one > 0 > NP0086131 > Ulmoidol $$$$