Mrv1652309122213582D 34 37 0 0 1 0 999 V2000 -0.9747 -7.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2602 -7.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2602 -6.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -7.5155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4542 -8.3405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1687 -7.1030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1687 -6.2780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8832 -7.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 -7.1030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5977 -6.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3121 -7.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0658 -7.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3207 -6.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1277 -6.2238 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3827 -5.4392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6798 -6.8369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4867 -6.6654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9347 -6.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -5.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5486 -5.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1007 -6.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9076 -6.1508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8457 -7.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6627 -7.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8745 -7.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0388 -7.2785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7838 -8.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9768 -8.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4248 -7.6215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1699 -8.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6178 -7.7930 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8728 -8.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2053 -8.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3984 -8.3360 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 4 5 1 1 0 0 0 4 6 1 0 0 0 0 6 7 1 1 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 1 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 16 14 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 17 26 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 16 29 1 0 0 0 0 29 30 1 1 0 0 0 29 31 1 0 0 0 0 12 31 1 0 0 0 0 31 32 1 6 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 11 34 1 0 0 0 0 M END > NP0328475 > NP-MRD > C[C@H](C[C@H](O)[C@@H](O)C(C)=C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1 > InChI=1S/C30H48O4/c1-17(2)25(34)21(31)15-18(3)19-9-13-29(7)20(19)16-22(32)26-28(6)12-11-24(33)27(4,5)23(28)10-14-30(26,29)8/h18,21-23,25-26,31-32,34H,1,9-16H2,2-8H3/t18-,21+,22+,23-,25+,26+,28+,29+,30+/m1/s1 > WLNDANGOFVYODW-HJVSCTPZSA-N > C30H48O4 > 472.71 > 472.355260026 > 4 > 82 > 55.578726668094795 > 1 > 3 > 0 > 0 > (1S,2S,7S,10S,11R,17S)-14-[(2R,4S,5S)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-17-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-14-en-5-one > 4.7136544260000015 > 0 > 4 > 0 > 15.087845441452593 > 13.52323771942308 > -0.339357041942998 > 77.75999999999999 > 137.11939999999998 > 5 > 1 > (1S,2S,7S,10S,11R,17S)-14-[(2R,4S,5S)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-17-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-14-en-5-one > 0 > NP0328475 > (3ar,3bs,5as,9as,9bs,10s)-1-[(2r,4s,5s)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-10-hydroxy-3a,3b,6,6,9a-pentamethyl-2h,3h,4h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one $$$$