Mrv1652305312218022D 54 58 0 0 1 0 999 V2000 5.5983 0.9116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0812 0.2688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8887 0.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4698 -0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7541 0.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6704 -0.6957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9230 0.9325 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1755 1.7180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7432 1.0214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3330 0.3056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1535 1.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9785 1.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3932 1.0266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3887 2.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9740 3.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3842 3.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2092 3.8871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6239 3.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2137 2.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3082 1.4826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1392 0.6751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4772 2.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2610 2.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4300 3.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8758 1.9975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 1.2252 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6080 2.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8086 1.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1973 1.0815 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9399 1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4899 2.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2325 3.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2975 2.3111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5352 0.3289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0524 -0.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2317 -0.2565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5682 -0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2918 -1.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1063 0.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3765 1.1651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4442 1.2487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0386 1.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7822 2.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 1.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1201 2.7540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3554 0.4177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1030 -0.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9703 -0.1324 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2481 -0.9092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8013 -0.9399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4161 -1.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1999 -1.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2472 -2.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 1 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 1 0 0 0 5 7 1 0 0 0 0 7 8 1 6 0 0 0 7 9 1 0 0 0 0 2 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 6 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 14 19 1 0 0 0 0 7 20 1 0 0 0 0 20 21 1 1 0 0 0 20 22 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 20 26 1 0 0 0 0 26 27 1 6 0 0 0 26 28 1 0 0 0 0 28 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 29 34 1 0 0 0 0 34 35 1 1 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 6 0 0 0 37 39 1 1 0 0 0 37 40 1 0 0 0 0 40 41 1 0 0 0 0 29 41 1 0 0 0 0 41 42 1 1 0 0 0 41 43 1 6 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 2 0 0 0 0 34 47 1 0 0 0 0 26 47 1 0 0 0 0 47 48 1 6 0 0 0 47 49 1 0 0 0 0 5 49 1 0 0 0 0 49 50 1 1 0 0 0 49 51 1 6 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 52 54 2 0 0 0 0 M END > NP0137653 > NP-MRD > [H][C@]1(C)C[C@@]2(O)[C@]([H])([C@@]1([H])OC(=O)C1=CC=CC=C1)[C@@]([H])(OC(C)=O)[C@]1(C)C[C@]3(OC(C)=O)[C@@]([H])(C[C@@](C)(O)C[C@]3([H])OC(C)=O)[C@]1(C)[C@@]2([H])OC(C)=O > InChI=1S/C35H46O12/c1-18-14-34(42)26(27(18)46-29(40)23-12-10-9-11-13-23)28(44-20(3)37)32(7)17-35(47-22(5)39)24(33(32,8)30(34)45-21(4)38)15-31(6,41)16-25(35)43-19(2)36/h9-13,18,24-28,30,41-42H,14-17H2,1-8H3/t18-,24-,25-,26+,27-,28+,30+,31+,32-,33+,34+,35-/m0/s1 > YOOFGOIZRALNAL-ZMHDZMPESA-N > C35H46O12 > 658.741 > 658.298926921 > 7 > 93 > 38.8136988456333 > 0 > 2 > 0 > 0 > (1S,2S,3aR,4R,4aS,4bS,6R,8S,8aS,9aR,10R,10aR)-4,8,8a,10-tetrakis(acetyloxy)-3a,6-dihydroxy-2,4a,6,9a-tetramethyl-hexadecahydrocyclopenta[b]fluoren-1-yl benzoate > 2.039255751666668 > 1 > 5 > 0 > 14.966951918965204 > 13.398070131087405 > -2.8186034772939594 > 171.96 > 162.51350000000005 > 11 > 0 > (1S,2S,3aR,4R,4aS,4bS,6R,8S,8aS,9aR,10R,10aR)-4,8,8a,10-tetrakis(acetyloxy)-3a,6-dihydroxy-2,4a,6,9a-tetramethyl-decahydro-1H-cyclopenta[b]fluoren-1-yl benzoate > 0 > NP0137653 > 5,8,9,14-Tetraacetoxy-3-benzoyloxy-10,15-dihydroxypepluane $$$$