Mrv1652309072215382D 42 46 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 10.4984 -2.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4984 -3.7677 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 11.2128 -1.7052 0.0000 C 0 0 0 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 1 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 1 0 0 0 0 0 0 0 0 0 19.6662 -3.8949 0.0000 O 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 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 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 19 17 1 1 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 6 0 0 0 24 25 1 0 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 1 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 26 32 1 0 0 0 0 32 33 1 1 0 0 0 32 34 1 0 0 0 0 23 34 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 22 37 1 0 0 0 0 19 37 1 0 0 0 0 37 38 1 1 0 0 0 5 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 3 41 1 0 0 0 0 41 42 1 0 0 0 0 M END > NP0250723 > NP-MRD > COC1=CC(\C=C\C(=O)CC(C)[C@H](C)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=CC=C1O > InChI=1S/C38H58O4/c1-24(26(3)21-29(39)12-9-27-10-16-35(41)36(22-27)42-6)7-8-25(2)32-14-15-33-31-13-11-28-23-30(40)17-19-37(28,4)34(31)18-20-38(32,33)5/h9-10,12,16,22,24-26,28,30-34,40-41H,7-8,11,13-15,17-21,23H2,1-6H3/b12-9+/t24-,25-,26?,28+,30+,31+,32-,33+,34+,37+,38-/m1/s1 > JAZJNMDSVDHBFN-AVKUBCOBSA-N > C38H58O4 > 578.878 > 578.433510348 > 4 > 100 > 71.01232000700585 > 0 > 2 > 0 > 0 > (1E,6R,9R)-9-[(1S,2S,5S,7S,10R,11S,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-1-(4-hydroxy-3-methoxyphenyl)-5,6-dimethyldec-1-en-3-one > 9.157635418000002 > 1 > 5 > 0 > 18.296396321121705 > 9.510915380988584 > -1.3566930769878351 > 66.76 > 172.99289999999996 > 10 > 0 > (1E,6R,9R)-9-[(1S,2S,5S,7S,10R,11S,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-1-(4-hydroxy-3-methoxyphenyl)-5,6-dimethyldec-1-en-3-one > 0 > NP0250723 > (1e,6r,9r)-9-[(1r,3as,3br,5as,7s,9as,9bs,11ar)-7-hydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-1-(4-hydroxy-3-methoxyphenyl)-5,6-dimethyldec-1-en-3-one $$$$