Mrv1652305312218322D 55 62 0 0 1 0 999 V2000 2.9294 -0.2423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7300 -0.4415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0334 0.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8778 0.4993 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6979 0.5883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1983 1.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3795 -0.2105 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5604 -0.3095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2118 -0.2438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9033 0.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7827 0.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5840 0.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8143 -0.6371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3852 -0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6155 -0.8338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1864 -0.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9876 -0.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2180 -1.2270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4483 -2.0192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0192 -1.4237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2495 -2.2159 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8204 -1.6203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0507 -2.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2811 -3.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7102 -3.8002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1393 -4.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9405 -4.5924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9089 -3.6036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1077 -3.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3380 -4.1992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6786 -2.8114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4798 -3.0081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8774 -2.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6471 -1.8226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3327 -2.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3143 -2.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8458 -1.6259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0762 -2.4181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2749 -2.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4737 -2.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2434 -1.2327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0115 -0.4409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4432 -1.0397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5936 -1.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7577 -1.5121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0299 -1.9007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7614 -2.3370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0544 -1.0368 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4251 -0.7096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -1.6669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -1.2972 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9380 -0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8972 -1.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8804 -2.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1913 -1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 6 0 0 0 4 6 1 1 0 0 0 4 7 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 1 6 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 15 14 1 6 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 1 0 0 0 18 20 1 6 0 0 0 21 20 1 6 0 0 0 21 22 1 1 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 6 0 0 0 25 27 1 1 0 0 0 25 28 1 0 0 0 0 28 29 1 1 0 0 0 28 30 1 6 0 0 0 28 31 1 0 0 0 0 21 31 1 0 0 0 0 31 32 1 6 0 0 0 31 33 1 6 0 0 0 18 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 15 37 1 0 0 0 0 37 38 1 1 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 13 41 1 0 0 0 0 41 42 1 6 0 0 0 41 43 1 0 0 0 0 9 43 1 0 0 0 0 43 44 1 1 0 0 0 43 45 1 0 0 0 0 45 46 1 6 0 0 0 45 47 1 1 0 0 0 45 48 1 0 0 0 0 7 48 1 0 0 0 0 48 49 1 6 0 0 0 2 49 1 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 2 51 1 0 0 0 0 51 52 1 1 0 0 0 51 53 1 6 0 0 0 53 54 1 0 0 0 0 53 55 2 0 0 0 0 M END > NP0137760 > NP-MRD > [H][C@]12C[C@@]([H])(C)[C@]3([H])[C@@]4(C)CC[C@@]56C[C@@]55CC[C@]([H])(O[C@]7([H])OC[C@@]([H])(O)[C@]([H])(O)[C@@]7([H])O)C(C)(C)[C@]5([H])CC[C@@]6([H])[C@]4(C)[C@@]([H])(O)[C@@]3(O1)O[C@]2([H])C(C)=C > InChI=1S/C35H54O8/c1-17(2)26-20-14-18(3)27-31(6)12-13-34-16-33(34)11-10-23(41-28-25(38)24(37)19(36)15-40-28)30(4,5)21(33)8-9-22(34)32(31,7)29(39)35(27,42-20)43-26/h18-29,36-39H,1,8-16H2,2-7H3/t18-,19-,20-,21+,22+,23+,24+,25-,26-,27-,28+,29-,31-,32-,33-,34+,35+/m1/s1 > CVBALRXHSITZGC-PVGNLWKZSA-N > C35H54O8 > 602.809 > 602.381868699 > 8 > 97 > 69.18998006525061 > 1 > 4 > 0 > 0 > (2S,3R,4S,5R)-2-{[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22R)-2-hydroxy-3,8,8,17,19-pentamethyl-22-(prop-1-en-2-yl)-23,24-dioxaheptacyclo[19.2.1.0^{1,18}.0^{3,17}.0^{4,14}.0^{7,12}.0^{12,14}]tetracosan-9-yl]oxy}oxane-3,4,5-triol > 3.950992098 > 0 > 8 > 0 > 12.842367701237286 > 12.150684907449824 > -3.5265806236668267 > 117.84000000000002 > 157.59080000000003 > 3 > 0 > (2S,3R,4S,5R)-2-{[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22R)-2-hydroxy-3,8,8,17,19-pentamethyl-22-(prop-1-en-2-yl)-23,24-dioxaheptacyclo[19.2.1.0^{1,18}.0^{3,17}.0^{4,14}.0^{7,12}.0^{12,14}]tetracosan-9-yl]oxy}oxane-3,4,5-triol > 0 > NP0137760 > 25-Anhydrocimigenol 3-O-beta-D-xyloside $$$$