Mrv1652309092207402D 43 47 0 0 1 0 999 V2000 6.2116 1.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9260 0.7698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9260 -0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6405 -0.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6405 -1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3550 -1.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3550 -2.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0694 -2.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0694 -3.7677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7839 -2.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7839 -1.7052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4984 -2.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2128 -2.5302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9273 -2.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6418 -2.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3563 -2.9427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3563 -3.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0707 -2.5302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1570 -1.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9639 -1.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3764 -2.2527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1834 -2.4242 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7354 -1.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5424 -1.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7974 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6043 -2.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8593 -3.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3072 -4.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5003 -4.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2453 -3.3803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6933 -3.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4383 -3.2088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8863 -3.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0793 -3.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8244 -2.8658 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2113 -3.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2128 -1.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9273 -1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4984 -1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9260 -1.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2116 -1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2116 -0.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4971 -0.0552 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 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 13 12 1 1 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 6 0 0 0 18 16 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 6 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 25 30 1 0 0 0 0 30 31 1 1 0 0 0 30 32 1 0 0 0 0 22 32 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 21 35 1 0 0 0 0 18 35 1 0 0 0 0 35 36 1 1 0 0 0 13 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 5 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 3 42 1 0 0 0 0 42 43 1 0 0 0 0 M END > NP0280069 > NP-MRD > COC1=CC(\C=C\C(=O)C(O)C[C@H](CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CCC5CCCC[C@]5(C)[C@H]4CC[C@]23C)C(C)C)=CC=C1O > InChI=1S/C39H60O4/c1-25(2)28(24-36(42)34(40)18-11-27-12-19-35(41)37(23-27)43-6)13-10-26(3)31-16-17-32-30-15-14-29-9-7-8-21-38(29,4)33(30)20-22-39(31,32)5/h11-12,18-19,23,25-26,28-33,36,41-42H,7-10,13-17,20-22,24H2,1-6H3/b18-11+/t26-,28+,29?,30+,31-,32+,33+,36?,38+,39-/m1/s1 > WMAKRJDWSGWHCN-HBACRJDKSA-N > C39H60O4 > 592.905 > 592.449160412 > 4 > 103 > 73.49368100257064 > 0 > 2 > 0 > 0 > (1E,6S,9R)-9-[(1S,2S,10R,11S,14R,15R)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-4-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-(propan-2-yl)dec-1-en-3-one > 10.117856689333335 > 1 > 5 > 0 > 13.403560855007932 > 9.505852703816945 > -3.497112690619982 > 66.76 > 177.4166 > 11 > 0 > (1E,6S,9R)-9-[(1S,2S,10R,11S,14R,15R)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-4-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-isopropyldec-1-en-3-one > 0 > NP0280069 > (1e,6s,9r)-9-[(1r,3as,3br,9as,9bs,11ar)-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-isopropyldec-1-en-3-one $$$$