Mrv1652309122216442D 35 37 0 0 1 0 999 V2000 5.4217 0.1644 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 4.0145 0.4125 0.0000 C 0 0 1 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 -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 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 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 4.8395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 1.8414 0.0000 C 0 0 2 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 2.3645 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 3.9849 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 2 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5395 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -1.7309 0.0000 O 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 2 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 -0.3977 1.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3689 2.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1261 1.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1549 0.3523 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 6 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 3 9 1 0 0 0 0 9 10 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 8 14 1 0 0 0 0 14 15 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 14 19 1 0 0 0 0 20 19 1 6 0 0 0 20 21 1 0 0 0 0 7 21 1 0 0 0 0 21 22 1 6 0 0 0 21 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 23 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 20 30 1 0 0 0 0 30 31 1 6 0 0 0 30 32 1 1 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 M END > NP0329896 > NP-MRD > COC(=O)[C@]1(C)CC[C@H](OC(C)=O)[C@@]2(C)[C@H]1C[C@@H](OC(C)=O)C1=C2CC[C@](C)(C=C)[C@@H]1OC(C)=O > InChI=1S/C27H38O8/c1-9-25(5)12-10-18-22(23(25)35-17(4)30)19(33-15(2)28)14-20-26(6,24(31)32-8)13-11-21(27(18,20)7)34-16(3)29/h9,19-21,23H,1,10-14H2,2-8H3/t19-,20+,21+,23-,25+,26-,27-/m1/s1 > HPLALXILNGTIHC-RRWJHGDBSA-N > C27H38O8 > 490.593 > 490.256668184 > 4 > 73 > 52.291832775243485 > 1 > 0 > 0 > 0 > methyl (1R,4S,4aS,7R,8S,9R,10aR)-4,8,9-tris(acetyloxy)-7-ethenyl-1,4a,7-trimethyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthrene-1-carboxylate > 2.9562713003333334 > 1 > 3 > 0 > -6.430388388300108 > 105.2 > 126.68430000000001 > 9 > 1 > methyl (1R,4S,4aS,7R,8S,9R,10aR)-4,8,9-tris(acetyloxy)-7-ethenyl-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate > 0 > NP0329896 > methyl (1r,4s,4as,7r,8s,9r,10ar)-4,8,9-tris(acetyloxy)-7-ethenyl-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2h-phenanthrene-1-carboxylate $$$$