CDK 1030232201 32 36 0 0 0 0 0 0 0 0999 V2000 0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 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 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4290 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 -1.6500 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 0.0000 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1434 0.0000 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 -0.7145 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 2.0625 0.0000 C 0 0 2 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 0.0000 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 5 3 1 0 0 0 0 6 3 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 6 0 0 0 11 6 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 6 0 0 0 7 14 2 0 0 0 0 15 8 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 11 18 1 6 0 0 0 19 15 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 6 0 0 0 19 22 1 0 0 0 0 19 23 1 1 0 0 0 20 24 1 0 0 0 0 25 22 1 0 0 0 0 22 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 6 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 7 11 1 0 0 0 0 12 16 1 0 0 0 0 17 19 1 0 0 0 0 24 25 1 0 0 0 0 29 30 1 0 0 0 0 M END > CHEBI:212596 > Friedelane-1,3-dione > 2 > (4R,4aR,6aS,6bR,8aR,14aR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-5,6,6a,7,8,9,10,12,12a,13,14,14b-dodecahydro-4H-picene-1,3-dione > C30H48O2 > 440.712 > 440.36543 > 0 > O=C1C2[C@]3(C([C@@]4([C@@](C5[C@@](CCC(C5)(C)C)(C)CC4)(C)CC3)C)CC[C@@]2([C@@H](C)C(C1)=O)C)C > InChI=1S/C30H48O2/c1-19-20(31)17-21(32)24-27(19,5)10-9-22-28(24,6)14-16-30(8)23-18-25(2,3)11-12-26(23,4)13-15-29(22,30)7/h19,22-24H,9-18H2,1-8H3/t19-,22?,23?,24?,26+,27+,28+,29+,30-/m0/s1 > CIYYAWPHDGBGKJ-PCRRXLPCSA-N $$$$