Mrv2104 12142312032D 23 25 0 0 1 0 999 V2000 5.4217 0.6606 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 4.0145 0.4125 0.0000 C 0 0 1 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 2.7770 -0.3020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3645 -1.0164 0.0000 O 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 1.1270 0.0000 C 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 2.5559 0.0000 O 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 0 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 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 4.6465 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 2 1 1 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 7 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 12 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 3 20 1 0 0 0 0 20 8 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 0 0 0 0 3 23 1 6 0 0 0 M END > NP0332230 > NP-MRD > CO[C@@H]1C2=C([C@@H](O)C[C@]1(C)C=C)C1=C(C=C2O)C(C)(C)CCC1 > InChI=1S/C20H28O3/c1-6-20(4)11-15(22)16-12-8-7-9-19(2,3)13(12)10-14(21)17(16)18(20)23-5/h6,10,15,18,21-22H,1,7-9,11H2,2-5H3/t15-,18+,20-/m0/s1 > AOVBYPUNPJCVDG-CVAIRZPRSA-N > C20H28O3 > 316.441 > 316.203844762 > 3 > 51 > 36.48039729047861 > 1 > 2 > 0 > 1 > (1S,2R,4S)-2-ethenyl-1-methoxy-2,8,8-trimethyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-4,10-diol > 4.226313847333333 > 0 > 3 > 0 > 14.500361551207318 > 9.28128001972724 > -3.0922804542002504 > 49.69 > 93.324 > 2 > 1 > (1S,2R,4S)-2-ethenyl-1-methoxy-2,8,8-trimethyl-1,3,4,5,6,7-hexahydrophenanthrene-4,10-diol > 0 > NP0332230 > Pleosmaranes C $$$$