Mrv2104 03092315222D 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 2 0 0 0 0 0 0 0 0 0 0.0043 0.0099 0.0000 O 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 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 4 3 1 0 0 0 0 4 5 1 6 0 0 0 6 4 1 0 0 0 0 6 7 1 6 0 0 0 6 8 1 0 0 0 0 8 9 1 1 0 0 0 8 10 1 6 0 0 0 8 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 6 24 1 0 0 0 0 24 2 1 0 0 0 0 24 25 1 6 0 0 0 M END > NP0333513 > NP-MRD > [H][C@@]12C[C@@]3(C)CC[C@@H](C(C)=C)[C@]3([H])CC[C@@](C)(O)[C@]1([H])[C@@H](O)C[C@@H]2C > InChI=1S/C20H34O2/c1-12(2)14-6-8-19(4)11-15-13(3)10-17(21)18(15)20(5,22)9-7-16(14)19/h13-18,21-22H,1,6-11H2,2-5H3/t13-,14-,15-,16-,17-,18-,19+,20+/m0/s1 > RHKPUHTUSMAQCH-QGBULDMBSA-N > C20H34O2 > 306.49 > 306.255880335 > 2 > 56 > 37.00065910918542 > 1 > 2 > 0 > 1 > (1R,3S,4S,6S,7S,8R,11S,12R)-1,4,8-trimethyl-12-(prop-1-en-2-yl)tricyclo[9.3.0.0^{3,7}]tetradecane-6,8-diol > 3.550988564333334 > 0 > 3 > 0 > 15.176060108661675 > 14.464488130545249 > -2.867454897663011 > 40.46 > 90.90079999999999 > 1 > 1 > (1R,3S,4S,6S,7S,8R,11S,12R)-1,4,8-trimethyl-12-(prop-1-en-2-yl)tricyclo[9.3.0.0^{3,7}]tetradecane-6,8-diol > 0 > NP0333513 > Myrothec-15(17)-en-5,7-diol $$$$