Mrv1652309122203112D 55 59 0 0 1 0 999 V2000 2.4078 -3.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6874 -3.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8152 -3.0523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5367 -2.8775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1316 -2.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6163 -1.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2086 -2.0654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6768 -0.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4344 0.6664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8469 1.3809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6638 1.2660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5475 0.7933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4201 0.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0157 1.5868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7641 0.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5865 0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0540 -0.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6989 -1.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8765 -1.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4091 -0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0255 2.0076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7813 2.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4320 2.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7036 2.1933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0100 3.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0716 2.7236 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0179 3.6910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8189 4.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2132 5.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2592 5.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2466 2.7236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8741 3.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6146 2.1933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8862 2.5806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3144 3.2813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6761 3.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1759 4.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6926 4.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2928 2.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5424 2.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5048 1.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6544 1.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9573 0.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4714 1.3809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8839 0.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6591 0.3842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0265 -0.2520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3265 -0.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8725 -1.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4836 -0.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7453 1.6055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4799 1.7043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0722 0.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8916 0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1483 0.0768 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 1 0 0 0 9 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 1 6 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 15 20 1 0 0 0 0 11 21 1 0 0 0 0 21 22 1 6 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 10 24 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 26 31 1 0 0 0 0 31 32 1 1 0 0 0 31 33 1 0 0 0 0 33 34 1 6 0 0 0 34 35 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 34 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 42 43 2 0 0 0 0 44 42 1 1 0 0 0 33 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 9 46 1 0 0 0 0 46 47 1 1 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 2 0 0 0 0 46 51 1 0 0 0 0 31 51 1 0 0 0 0 51 52 1 1 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 > NP0322434 > NP-MRD > C[C@H]1C[C@@]2(O)[C@H]([C@H]1OC(=O)C1=CC=CC=C1)[C@@H](OC(=O)COC(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(C)=O > InChI=1S/C39H48O16/c1-18-15-38(48)28(29(18)54-33(47)24-13-11-10-12-14-24)32(53-26(45)17-49-19(2)40)39(55-23(6)44)16-25-27(31(50-20(3)41)36(7,8)30(25)46)37(9,34(38)51-21(4)42)35(39)52-22(5)43/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 > IFVZGQVJBOEHFG-QFPQOYHNSA-N > C39H48O16 > 772.797 > 772.294235466 > 9 > 103 > 77.50867289895382 > 0 > 1 > 0 > 0 > (1R,2R,3R,4S,5S,7R,8R,9R,10S,11S,14R,16R)-1,8,11,16-tetrakis(acetyloxy)-2-{[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 > 15.31647412815293 > 13.396155095449604 > -3.4977467190425298 > 221.39999999999995 > 182.72980000000007 > 16 > 0 > (1R,2R,3R,4S,5S,7R,8R,9R,10S,11S,14R,16R)-1,8,11,16-tetrakis(acetyloxy)-2-{[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 > NP0322434 > (1r,2r,3r,4s,5s,7r,8r,9r,10s,11s,14r,16r)-1,8,11,16-tetrakis(acetyloxy)-2-{[2-(acetyloxy)acetyl]oxy}-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadecan-4-yl benzoate $$$$