Mrv1652309042200402D 51 55 0 0 1 0 999 V2000 5.1132 3.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2894 3.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9146 4.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8162 3.0786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0119 2.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9257 1.2498 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1957 0.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5577 1.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7009 2.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2884 3.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5132 3.5892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5377 4.4888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1159 5.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8601 5.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9230 4.9616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7379 3.3070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2476 4.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2144 4.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4841 5.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9119 5.2918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3254 2.5926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5085 2.7074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1876 3.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0319 3.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4745 2.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4135 3.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2377 4.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6193 4.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1767 5.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3524 5.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 4.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1468 1.9659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7322 1.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7403 1.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4687 1.7801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4833 0.9158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1007 1.2498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8831 0.3789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1056 -0.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8999 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5155 -1.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5179 2.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1778 3.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 1.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6579 1.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7629 2.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2861 1.3928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5634 0.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2637 0.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0227 0.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1641 -0.7962 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 1 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 5 11 1 0 0 0 0 11 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 11 16 1 0 0 0 0 16 17 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 16 21 1 0 0 0 0 21 22 1 6 0 0 0 22 23 1 6 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 26 31 1 0 0 0 0 22 32 1 0 0 0 0 32 33 1 6 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 21 35 1 0 0 0 0 35 36 1 6 0 0 0 35 37 1 0 0 0 0 6 37 1 0 0 0 0 37 38 1 6 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 9 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 47 1 0 0 0 0 8 47 1 0 0 0 0 47 48 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 2 0 0 0 0 M END > NP0183718 > NP-MRD > C[C@H]1C[C@@]2(O)[C@H]([C@H]1OC(=O)C1=CC=CC=C1)[C@@H](OC(C)=O)[C@@]1(CC3=C([C@H](OC(C)=O)C(C)(C)C3=O)[C@@](C)(C1OC(C)=O)[C@@H]2OC(C)=O)OC(C)=O > InChI=1S/C37H44O14/c1-17-15-36(45)26(27(17)50-31(44)23-13-11-10-12-14-23)30(47-19(3)39)37(51-22(6)42)16-24-25(29(46-18(2)38)34(7,8)28(24)43)35(9,32(36)48-20(4)40)33(37)49-21(5)41/h10-14,17,26-27,29-30,32-33,45H,15-16H2,1-9H3/t17-,26+,27-,29-,30+,32-,33?,35+,36+,37+/m0/s1 > SWSXELQHTSGROU-BFWGZRPSSA-N > C37H44O14 > 712.745 > 712.273106097 > 8 > 95 > 71.55420780244768 > 0 > 1 > 0 > 0 > (1R,2R,3R,4S,5S,7R,8S,9R,11S)-1,2,8,11,16-pentakis(acetyloxy)-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0^{3,7}.0^{10,14}]hexadec-10(14)-en-4-yl benzoate > 2.5007074026666642 > 1 > 5 > 0 > 13.39161114518382 > -3.5023092850965973 > 195.1 > 172.40840000000006 > 13 > 0 > (1R,2R,3R,4S,5S,7R,8S,9R,11S)-1,2,8,11,16-pentakis(acetyloxy)-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0^{3,7}.0^{10,14}]hexadec-10(14)-en-4-yl benzoate > 0 > NP0183718 > (1r,2r,3r,4s,5s,7r,8s,9r,11s)-1,2,8,11,16-pentakis(acetyloxy)-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadec-10(14)-en-4-yl benzoate $$$$