Mrv1652309122212132D 41 44 0 0 1 0 999 V2000 2.0178 -5.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0178 -5.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3034 -4.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3034 -3.8547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5889 -5.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1256 -4.6797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8400 -5.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1256 -3.8547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5419 -3.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2869 -2.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5381 -2.5851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2025 -1.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0901 -1.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8971 -2.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 -2.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -3.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 -3.3698 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9645 -4.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4491 -1.5305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7040 -2.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2561 -1.7020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8081 -1.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5532 -0.3043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1052 0.3088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8503 1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0433 1.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4023 1.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1474 2.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6994 3.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3404 2.6627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7462 -0.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0552 0.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0466 0.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1942 -0.7459 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3872 -0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8352 -1.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7323 -4.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7323 -3.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4468 -5.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1613 -4.6797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4468 -5.9172 0.0000 O 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 1 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 8 17 1 0 0 0 0 11 17 1 0 0 0 0 17 18 1 6 0 0 0 14 19 1 0 0 0 0 19 20 1 6 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 23 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 19 34 1 0 0 0 0 34 35 1 6 0 0 0 35 36 1 0 0 0 0 13 36 1 0 0 0 0 2 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 M END > NP0327543 > NP-MRD > C[C@H](CC(=O)C(=C)C(C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(O)=O)C(C)(C)[C@@H]1CC3 > InChI=1S/C34H50O7/c1-19(17-25(35)20(2)21(3)30(39)40)22-11-15-34(8)24-9-10-26-31(4,5)27(41-29(38)18-28(36)37)13-14-32(26,6)23(24)12-16-33(22,34)7/h19,21-22,26-27H,2,9-18H2,1,3-8H3,(H,36,37)(H,39,40)/t19-,21?,22-,26+,27-,32-,33-,34+/m1/s1 > LJDYIANNVNRBHB-DAACNWGDSA-N > C34H50O7 > 570.767 > 570.35565395 > 6 > 91 > 64.42900909895458 > 0 > 2 > 0 > 0 > (6R)-6-[(2S,5R,7R,11R,14R,15R)-5-[(2-carboxyacetyl)oxy]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methyl-3-methylidene-4-oxoheptanoic acid > 6.653421199666665 > 1 > 4 > -2 > 4.68087506243876 > 4.0697660434415575 > -5.647247176743079 > 117.97000000000001 > 155.90090000000004 > 10 > 0 > (6R)-6-[(2S,5R,7R,11R,14R,15R)-5-[(2-carboxyacetyl)oxy]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methyl-3-methylidene-4-oxoheptanoic acid > 0 > NP0327543 > (6r)-6-[(1r,3ar,5ar,7r,9as,11ar)-7-[(2-carboxyacetyl)oxy]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylidene-4-oxoheptanoic acid $$$$