Mrv2104 03092315182D 25 27 0 0 1 0 999 V2000 1.1157 -2.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0509 -1.8507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3475 -1.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5401 -0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -0.5527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1875 -0.5527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6783 0.2095 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8603 0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5446 1.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5706 1.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4405 0.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2027 0.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5184 -0.5527 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6934 -0.5527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2027 -1.3149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8300 -1.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5334 -1.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3408 -0.6175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8766 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6012 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6878 -0.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0736 -2.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4405 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6783 -1.3149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8073 -2.1298 0.0000 H 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 5 4 1 0 0 0 0 5 6 1 6 0 0 0 5 7 1 0 0 0 0 7 8 1 1 0 0 0 8 9 1 0 0 0 0 7 10 1 6 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 13 12 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 17 1 0 0 0 0 13 18 1 0 0 0 0 18 19 1 6 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 15 22 1 1 0 0 0 15 23 1 0 0 0 0 24 23 1 0 0 0 0 5 24 1 0 0 0 0 24 2 1 0 0 0 0 24 25 1 6 0 0 0 M END > NP0333512 > NP-MRD > [H][C@@]12C[C@@]3(C)CC[C@@H](C(C)=C)[C@]3([H])CC[C@](O)(CO)[C@]1([H])CC[C@@H]2C > InChI=1S/C20H34O2/c1-13(2)15-7-9-19(4)11-16-14(3)5-6-18(16)20(22,12-21)10-8-17(15)19/h14-18,21-22H,1,5-12H2,2-4H3/t14-,15-,16-,17-,18+,19+,20-/m0/s1 > KPNDVZOTZLPSLD-INCXTXFYSA-N > C20H34O2 > 306.49 > 306.255880335 > 2 > 56 > 37.04488506133754 > 1 > 2 > 0 > 1 > (1R,3S,4S,7R,8R,11S,12R)-8-(hydroxymethyl)-1,4-dimethyl-12-(prop-1-en-2-yl)tricyclo[9.3.0.0^{3,7}]tetradecan-8-ol > 3.8492403976666676 > 0 > 3 > 0 > 15.311771848347377 > 13.69329012400146 > -3.0755315200854136 > 40.46 > 90.87379999999999 > 2 > 1 > (1R,3S,4S,7R,8R,11S,12R)-8-(hydroxymethyl)-1,4-dimethyl-12-(prop-1-en-2-yl)tricyclo[9.3.0.0^{3,7}]tetradecan-8-ol > 0 > NP0333512 > Myrothec-15(17)-en-7,19-diol $$$$