CDK 1028232203 35 39 0 0 0 0 0 0 0 0999 V2000 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7144 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7144 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7144 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7144 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4290 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4290 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -4.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7144 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5395 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1269 -5.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 4 1 1 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 1 0 0 0 5 9 2 0 0 0 0 7 10 1 0 0 0 0 9 11 1 0 0 0 0 12 10 1 6 0 0 0 12 13 1 0 0 0 0 14 12 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 17 14 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 6 0 0 0 16 20 1 0 0 0 0 21 17 1 0 0 0 0 18 22 1 0 0 0 0 23 21 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 6 0 0 0 26 23 1 0 0 0 0 24 27 1 0 0 0 0 28 26 1 0 0 0 0 26 29 1 0 0 0 0 26 30 1 6 0 0 0 28 31 1 0 0 0 0 29 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 31 35 1 0 0 0 0 6 9 1 0 0 0 0 17 20 1 6 0 0 0 23 22 1 6 0 0 0 28 27 1 6 0 0 0 32 33 1 0 0 0 0 M END > CHEBI:200816 > Sporulene B > 2 > (1S,4aR,4bR,6aS,10aS,10bR,12aR)-4b,7,7,10a,12a-pentamethyl-2-methylidene-1-[(3R)-3-(4-methylphenyl)butyl]-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysene > C35H54 > 474.817 > 474.42255 > 0 > C1(=CC=C(C)C=C1)[C@@H](CC[C@H]2C(=C)CC[C@@H]3[C@@]2(CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C > InChI=1S/C35H54/c1-24-10-14-27(15-11-24)25(2)12-16-28-26(3)13-17-30-33(28,6)22-19-31-34(7)21-9-20-32(4,5)29(34)18-23-35(30,31)8/h10-11,14-15,25,28-31H,3,9,12-13,16-23H2,1-2,4-8H3/t25-,28+,29+,30-,31-,33-,34+,35+/m1/s1 > ZRZKSUXNULZPHV-ATJBQKKCSA-N $$$$