Mrv1652309122217452D 38 41 0 0 1 0 999 V2000 -1.2718 -8.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5573 -8.5007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1572 -8.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1572 -9.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8716 -8.5007 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8716 -7.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5861 -8.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3006 -8.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3006 -7.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0150 -8.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7295 -8.5007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7295 -7.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4440 -8.9132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5302 -9.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3372 -9.9052 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6727 -10.6589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7497 -9.1908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2346 -9.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5567 -9.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8116 -8.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2596 -7.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5145 -6.8369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4526 -7.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1977 -8.5777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5846 -8.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6186 -8.0631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0665 -7.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8735 -7.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6805 -7.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2325 -7.7200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0395 -7.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9776 -8.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7945 -8.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0064 -9.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1706 -8.6762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9157 -9.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1087 -9.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8538 -10.4169 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 3 5 1 0 0 0 0 5 6 1 6 0 0 0 5 7 1 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 1 0 0 0 13 11 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 1 1 0 0 0 17 19 1 0 0 0 0 19 20 2 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 13 24 1 0 0 0 0 17 24 1 0 0 0 0 24 25 1 6 0 0 0 20 26 1 0 0 0 0 26 27 1 6 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 6 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 26 35 1 0 0 0 0 35 36 1 6 0 0 0 36 37 1 0 0 0 0 19 37 1 0 0 0 0 37 38 2 0 0 0 0 M END > NP0330417 > NP-MRD > COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O > InChI=1S/C31H46O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h16-17,19,22-24,35-36H,9-15H2,1-8H3/t16-,17-,19-,22+,23+,24+,29+,30-,31+/m1/s1 > HRCXCJZSYKDYGV-HGDUBBKOSA-N > C31H46O7 > 530.702 > 530.324353821 > 6 > 84 > 59.79558342550972 > 1 > 2 > 0 > 0 > methyl (2R,6R)-6-[(2S,5S,7R,11R,12S,14R,15R)-5,12-dihydroxy-2,6,6,11,15-pentamethyl-9,17-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methyl-4-oxoheptanoate > 3.449275960333332 > 1 > 4 > 0 > 17.789629501891866 > 14.603274162852998 > -0.7785753259171905 > 117.97000000000003 > 143.69840000000002 > 7 > 0 > methyl (2R,6R)-6-[(2S,5S,7R,11R,12S,14R,15R)-5,12-dihydroxy-2,6,6,11,15-pentamethyl-9,17-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methyl-4-oxoheptanoate > 0 > NP0330417 > methyl (2r,6r)-6-[(1r,3s,3ar,5ar,7s,9as,11ar)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,10-dioxo-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate $$$$