Mrv1652304282205452D 33 34 0 0 1 0 999 V2000 6.1368 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8513 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8513 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1368 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4223 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9934 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7079 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4223 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 3.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1684 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8184 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 4.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2789 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2088 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9538 1.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7239 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8989 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2088 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9374 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1368 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8513 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5658 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8513 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1368 2.0625 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 1 10 1 0 0 0 0 9 11 1 1 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 1 0 0 0 14 16 1 1 0 0 0 14 17 1 0 0 0 0 17 18 1 1 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 8 23 1 1 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 7 27 1 1 0 0 0 5 28 1 0 0 0 0 4 29 1 1 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 1 33 1 0 0 0 0 M END > NP0058398 > NP-MRD > C[C@@H](OC(C)=O)[C@](C)(O)C(=O)O[C@H]1C\C(C)=C/C[C@@H](OC(C)=O)\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]12 > InChI=1S/C24H32O9/c1-12-8-9-18(31-17(6)26)13(2)11-20-21(14(3)22(27)32-20)19(10-12)33-23(28)24(7,29)15(4)30-16(5)25/h8,11,15,18-21,29H,3,9-10H2,1-2,4-7H3/b12-8-,13-11+/t15-,18-,19+,20-,21+,24+/m1/s1 > MDEMWAXREYWVBU-NZCNMXOFSA-N > C24H32O9 > 464.511 > 464.20463261 > 5 > 65 > 47.14553223304549 > 1 > 1 > 0 > 1 > (3aS,4S,9R,11aR)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2S,3R)-3-(acetyloxy)-2-hydroxy-2-methylbutanoate > 2.07 > 2.117517151000001 > -3.94 > 0 > 2 > 0 > 11.640636046694942 > -4.268185793175632 > 125.43 > 117.35899999999998 > 8 > 1 > 5.33e-02 g/l > (3aS,4S,9R,11aR)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2S,3R)-3-(acetyloxy)-2-hydroxy-2-methylbutanoate > 0 > NP0058398 > Ursiniolide B $$$$