Mrv1652309082214432D 55 59 0 0 1 0 999 V2000 6.5567 -2.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0120 -1.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6151 -0.8782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1695 -1.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4305 -1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6070 -0.8962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5066 -1.7515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0184 -0.2096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5132 0.5863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2884 0.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7009 1.5829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5179 1.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1116 0.8610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 2.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5962 2.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6540 1.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2861 2.7827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8189 3.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4222 4.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3694 5.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2692 4.2777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5577 2.3954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9257 2.9257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3061 3.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 1.8076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7107 1.9041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1175 1.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4349 0.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 0.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1007 2.9257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0859 3.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2401 4.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7438 5.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 5.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4687 2.3954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0267 3.2467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7403 2.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1468 2.2096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6327 2.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5085 1.4681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3666 0.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 0.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9028 1.5242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4096 0.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9525 -0.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3187 -1.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 -1.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5992 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2330 0.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3254 1.5829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7379 0.8685 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3197 -0.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2422 -1.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7118 -1.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6771 -1.7772 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 2 0 0 0 0 6 8 1 0 0 0 0 9 8 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 22 17 1 1 0 0 0 11 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 6 0 0 0 23 25 1 0 0 0 0 9 25 1 0 0 0 0 25 26 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 23 30 1 0 0 0 0 30 31 1 6 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 30 35 1 0 0 0 0 35 36 1 1 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 1 0 0 0 38 40 1 0 0 0 0 40 41 1 1 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 44 49 1 0 0 0 0 50 40 1 1 0 0 0 35 50 1 0 0 0 0 50 51 1 0 0 0 0 9 51 1 0 0 0 0 51 52 1 6 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 2 0 0 0 0 M END > NP0267821 > 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(C[C@@H]3[C@H]([C@H](OC(C)=O)C(C)(C)C3=O)[C@@](C)([C@@H]1OC(C)=O)[C@H]2OC(C)=O)OC(=O)COC(C)=O > InChI=1S/C39H48O16/c1-18-15-38(48)28(29(18)54-33(47)24-13-11-10-12-14-24)32(51-21(4)42)39(55-26(45)17-49-19(2)40)16-25-27(31(50-20(3)41)36(7,8)30(25)46)37(9,34(38)52-22(5)43)35(39)53-23(6)44/h10-14,18,25,27-29,31-32,34-35,48H,15-17H2,1-9H3/t18-,25+,27+,28+,29-,31-,32+,34+,35-,37+,38+,39+/m0/s1 > UZNGNGIPDPIHBX-DFLPDNMSSA-N > C39H48O16 > 772.797 > 772.294235466 > 9 > 103 > 77.25283885368717 > 0 > 1 > 0 > 0 > (1R,2R,3R,4S,5S,7R,8R,9R,10S,11S,14R,16S)-2,8,11,16-tetrakis(acetyloxy)-1-{[2-(acetyloxy)acetyl]oxy}-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0^{3,7}.0^{10,14}]hexadecan-4-yl benzoate > 2.239901160999998 > 1 > 5 > 0 > 15.322618942495595 > 13.396240363761173 > -3.497745831340411 > 221.39999999999998 > 182.72979999999998 > 16 > 0 > (1R,2R,3R,4S,5S,7R,8R,9R,10S,11S,14R,16S)-2,8,11,16-tetrakis(acetyloxy)-1-{[2-(acetyloxy)acetyl]oxy}-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0^{3,7}.0^{10,14}]hexadecan-4-yl benzoate > 0 > NP0267821 > (1r,2r,3r,4s,5s,7r,8r,9r,10s,11s,14r,16s)-2,8,11,16-tetrakis(acetyloxy)-1-{[2-(acetyloxy)acetyl]oxy}-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadecan-4-yl benzoate $$$$