Mrv1652309022220062D 35 37 0 0 1 0 999 V2000 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2868 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8743 -2.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6993 -0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7158 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -4.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0013 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5724 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -3.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 1 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 6 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 7 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 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 16 15 1 6 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 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 19 24 1 0 0 0 0 24 25 1 6 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 24 29 1 0 0 0 0 16 29 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 11 34 1 0 0 0 0 35 34 1 1 0 0 0 2 35 1 0 0 0 0 7 35 1 0 0 0 0 M END > NP0160210 > NP-MRD > CC(=O)O[C@@H]1CO[C@@H](OC(C)(C)[C@@H]2CC[C@@]3(C)CC[C@@H](O)C(=C)[C@@H]3C2)[C@H](OC(C)=O)[C@H]1OC(C)=O > InChI=1S/C26H40O9/c1-14-19-12-18(8-10-26(19,7)11-9-20(14)30)25(5,6)35-24-23(34-17(4)29)22(33-16(3)28)21(13-31-24)32-15(2)27/h18-24,30H,1,8-13H2,2-7H3/t18-,19+,20-,21-,22+,23-,24+,26+/m1/s1 > RXZTXJNLNMJMHG-FAKSQXSBSA-N > C26H40O9 > 496.597 > 496.267232868 > 6 > 75 > 52.972797917184586 > 1 > 1 > 0 > 0 > (3R,4S,5R,6S)-6-({2-[(2R,4aS,7R,8aR)-7-hydroxy-4a-methyl-8-methylidene-decahydronaphthalen-2-yl]propan-2-yl}oxy)-4,5-bis(acetyloxy)oxan-3-yl acetate > 3.12 > 2.4837923783333338 > -4.55 > 1 > 3 > 0 > 18.095878950085257 > -1.443620381215784 > 117.59000000000003 > 123.78229999999999 > 9 > 1 > 1.39e-02 g/l > (3R,4S,5R,6S)-6-({2-[(2R,4aS,7R,8aR)-7-hydroxy-4a-methyl-8-methylidene-octahydronaphthalen-2-yl]propan-2-yl}oxy)-4,5-bis(acetyloxy)oxan-3-yl acetate > 0 > NP0160210 > (3r,4s,5r,6s)-6-({2-[(2r,4as,7r,8ar)-7-hydroxy-4a-methyl-8-methylidene-octahydronaphthalen-2-yl]propan-2-yl}oxy)-4,5-bis(acetyloxy)oxan-3-yl acetate $$$$