Mrv1652309072218062D 38 40 0 0 1 0 999 V2000 3.1387 -2.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3635 -1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9263 -2.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3136 -3.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1018 -2.4826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6646 -3.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.7542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2773 -2.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -1.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5472 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4973 -0.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0602 -0.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7643 -0.3261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2015 0.3735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8142 1.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0103 1.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2514 1.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8641 2.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0759 1.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1517 -1.0546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9762 -1.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0337 -0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6906 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4051 -1.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1196 -0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8340 -1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8340 -1.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5485 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5485 0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2630 -1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9774 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4051 -1.9083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5766 -2.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2256 -1.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5611 -2.5758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9480 -3.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0343 -3.9483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2336 -2.7153 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 1 0 0 0 5 7 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 20 13 1 1 0 0 0 7 20 1 0 0 0 0 20 21 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 1 0 0 0 21 23 1 6 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 30 31 1 0 0 0 0 32 24 1 6 0 0 0 32 33 1 6 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 32 38 1 0 0 0 0 M END > NP0252557 > NP-MRD > C\C=C(/C)C(=O)O[C@H](C[C@@]1(C)[C@@H]2[C@H](CCC(=C)[C@@]2(C)[C@H](O)C(=O)C1=C)OC(=O)C(C)C)[C@@]1(O)COC(=O)C1 > InChI=1S/C29H40O9/c1-9-16(4)26(34)38-20(29(35)13-21(30)36-14-29)12-27(7)18(6)22(31)24(32)28(8)17(5)10-11-19(23(27)28)37-25(33)15(2)3/h9,15,19-20,23-24,32,35H,5-6,10-14H2,1-4,7-8H3/b16-9+/t19-,20+,23-,24+,27+,28+,29-/m0/s1 > HJEIWHDYOODCJJ-PLUBYVGASA-N > C29H40O9 > 532.63 > 532.267232868 > 6 > 78 > 55.92304438072023 > 1 > 2 > 0 > 0 > (1R)-2-[(1S,4S,4aS,8S,8aS)-4-hydroxy-1,4a-dimethyl-2,5-dimethylidene-8-[(2-methylpropanoyl)oxy]-3-oxo-decahydronaphthalen-1-yl]-1-[(3S)-3-hydroxy-5-oxooxolan-3-yl]ethyl (2E)-2-methylbut-2-enoate > 3.689555715666666 > 1 > 3 > 0 > 13.123640711231012 > 12.510667329946195 > -3.7234019840026393 > 136.43 > 137.69670000000002 > 9 > 0 > (1R)-2-[(1S,4S,4aS,8S,8aS)-4-hydroxy-1,4a-dimethyl-2,5-dimethylidene-8-[(2-methylpropanoyl)oxy]-3-oxo-tetrahydro-4H-naphthalen-1-yl]-1-[(3S)-3-hydroxy-5-oxooxolan-3-yl]ethyl (2E)-2-methylbut-2-enoate > 0 > NP0252557 > (1r)-2-[(1s,4s,4as,8s,8as)-4-hydroxy-1,4a-dimethyl-2,5-dimethylidene-8-[(2-methylpropanoyl)oxy]-3-oxo-tetrahydro-4h-naphthalen-1-yl]-1-[(3s)-3-hydroxy-5-oxooxolan-3-yl]ethyl (2e)-2-methylbut-2-enoate $$$$