Mrv2104 12142312032D 23 25 0 0 1 0 999 V2000 2.7770 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6465 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 -0.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6465 0.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0145 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3977 1.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2732 1.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4553 2.3388 0.0000 O 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 7 6 1 0 0 0 0 7 8 1 1 0 0 0 8 9 2 0 0 0 0 7 10 1 6 0 0 0 7 11 1 0 0 0 0 11 3 1 0 0 0 0 11 12 1 6 0 0 0 12 13 1 0 0 0 0 2 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 4 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 20 19 1 0 0 0 0 20 15 1 0 0 0 0 20 21 1 1 0 0 0 20 22 1 6 0 0 0 22 23 1 0 0 0 0 M END > NP0332227 > NP-MRD > CO[C@H]1C2=C(CC[C@]1(C)C=C)C1=C(C=C2O)[C@@](C)(CO)CCC1 > InChI=1S/C20H28O3/c1-5-19(2)10-8-14-13-7-6-9-20(3,12-21)15(13)11-16(22)17(14)18(19)23-4/h5,11,18,21-22H,1,6-10,12H2,2-4H3/t18-,19-,20+/m0/s1 > CIHCHUBZRLJVAW-SLFFLAALSA-N > C20H28O3 > 316.441 > 316.203844762 > 3 > 51 > 36.64304057035908 > 1 > 2 > 0 > 1 > (1S,7R,8R)-7-ethenyl-1-(hydroxymethyl)-8-methoxy-1,7-dimethyl-1,2,3,4,5,6,7,8-octahydrophenanthren-9-ol > 4.176353757666666 > 0 > 3 > 0 > 15.0479085971887 > 9.469003483870127 > -2.7935314772763364 > 49.69 > 93.5832 > 3 > 1 > (1S,7R,8R)-7-ethenyl-1-(hydroxymethyl)-8-methoxy-1,7-dimethyl-2,3,4,5,6,8-hexahydrophenanthren-9-ol > 0 > NP0332227 > Pleosmaranes D $$$$