Mrv1652304282211492D 36 37 0 0 1 0 999 V2000 -4.5755 -2.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5467 -3.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8183 -3.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1187 -3.1654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1474 -2.3409 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8759 -1.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4478 -1.9038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7194 -2.2911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6906 -3.1156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3902 -3.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9621 -3.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0197 -1.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8603 -1.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4478 -0.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8603 0.2397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6853 0.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0978 0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6853 1.6686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8603 1.6686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4478 2.3831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1066 1.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4478 0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6228 0.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2103 1.6686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6228 2.3831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3853 1.6686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0861 -1.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0899 -3.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7895 -4.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0611 -4.8144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0323 -5.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7319 -6.0761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3038 -6.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2751 -6.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9747 -7.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5466 -7.2381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 1 6 1 0 0 0 0 5 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 4 10 1 0 0 0 0 9 11 1 6 0 0 0 8 12 1 6 0 0 0 7 13 1 6 0 0 0 13 14 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 15 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 7 27 1 1 0 0 0 4 28 1 6 0 0 0 3 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 M END > NP0065637 > NP-MRD > C[C@@H]1[C@H](O)C[C@]2(C)[C@H](CCC=C2COC(=O)CC(O)=O)[C@]1(C)CC[C@@H](CCOC(C)=O)COC(C)=O > InChI=1S/C27H42O9/c1-17-22(30)14-27(5)21(16-36-25(33)13-24(31)32)7-6-8-23(27)26(17,4)11-9-20(15-35-19(3)29)10-12-34-18(2)28/h7,17,20,22-23,30H,6,8-16H2,1-5H3,(H,31,32)/t17-,20+,22-,23-,26-,27+/m1/s1 > MMBVEWKIJKMBGB-XILKNQBRSA-N > C27H42O9 > 510.624 > 510.282882932 > 6 > 78 > 56.155056817448624 > 0 > 2 > 0 > 0 > 3-{[(4aR,5S,6S,7R,8aR)-5-[(3S)-5-(acetyloxy)-3-[(acetyloxy)methyl]pentyl]-7-hydroxy-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methoxy}-3-oxopropanoic acid > 4.09 > 2.618392634000001 > -5.04 > 0 > 2 > -1 > 3.938524376228099 > -0.610956379082476 > 136.43 > 131.44779999999997 > 15 > 0 > 4.61e-03 g/l > 3-{[(4aR,5S,6S,7R,8aR)-5-[(3S)-5-(acetyloxy)-3-[(acetyloxy)methyl]pentyl]-7-hydroxy-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy}-3-oxopropanoic acid > 0 > NP0065637 > 16-Diacetoxy-7alpha-hydroxy-18-malonyloxy-ent-cleroda-3-ene $$$$