Mrv1533004171508222D 60 66 0 0 0 0 999 V2000 10.7345 -2.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2026 -1.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4829 -0.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3905 -1.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8587 -1.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0466 -1.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5148 -0.7037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7951 0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2632 0.7029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4511 0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3587 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8269 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5466 -0.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1072 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5754 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7633 1.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 0.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0148 0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0743 -0.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7345 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9224 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3905 -0.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0307 -0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3367 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5607 0.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0195 1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6708 0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8685 1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0596 -0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7603 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4648 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2627 -0.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1175 -1.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6997 -1.5353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6892 -2.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2608 -2.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0943 -2.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 -1.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8557 2.4498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3239 3.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5117 2.9353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9799 3.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2602 4.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7284 4.9727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0723 4.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3526 5.2631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6041 3.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4163 4.0017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9193 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8025 2.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5311 1.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6072 0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8875 0.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3557 1.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5435 1.4789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6360 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1390 -0.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9511 -0.2681 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 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 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 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 13 19 1 0 0 0 0 19 20 1 0 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 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 18 29 1 0 0 0 0 23 29 1 0 0 0 0 29 30 1 0 0 0 0 25 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 31 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 16 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 42 49 1 0 0 0 0 49 50 1 0 0 0 0 15 51 1 0 0 0 0 10 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 8 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 56 58 1 0 0 0 0 54 59 1 0 0 0 0 5 59 1 0 0 0 0 59 60 1 0 0 0 0 M END > NP0154738 > NP-MRD > CC(=O)OC1COC(OC2CCC3(C)C(C(CC4C5(C)CC(O)C(C6(C)CCC(O6)C(C)(C)O)C5(C)CCC34C)OC3OCC(O)C(O)C3O)C2(C)C)C(OC(C)=O)C1O > InChI=1S/C45H74O15/c1-22(46)56-27-21-55-38(34(32(27)51)57-23(2)47)59-29-12-14-42(8)36(39(29,3)4)26(58-37-33(52)31(50)25(49)20-54-37)18-28-41(42,7)16-17-43(9)35(24(48)19-44(28,43)10)45(11)15-13-30(60-45)40(5,6)53/h24-38,48-53H,12-21H2,1-11H3 > ZZBMDTNGBMRRFC-UHFFFAOYSA-N > C45H74O15 > 855.072 > 854.502771683 > 13 > 134 > 93.89308487994006 > 0 > 6 > 0 > 0 > 5-(acetyloxy)-4-hydroxy-2-({13-hydroxy-14-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2,6,6,11,15-hexamethyl-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl}oxy)oxan-3-yl acetate > 3.11 > 2.109337300000001 > -4.78 > 1 > 7 > 0 > 12.871856816118974 > 12.16133088649843 > -2.875943152661687 > 220.12999999999997 > 213.32380000000006 > 10 > 0 > 1.43e-02 g/l > 5-(acetyloxy)-4-hydroxy-2-({13-hydroxy-14-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2,6,6,11,15-hexamethyl-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl}oxy)oxan-3-yl acetate > 0 > NP0154738 > 5-(acetyloxy)-4-hydroxy-2-({2-hydroxy-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,6,6,9a,9b,11a-hexamethyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]-dodecahydrocyclopenta[a]phenanthren-7-yl}oxy)oxan-3-yl acetate $$$$