Mrv1652309122209132D 51 55 0 0 1 0 999 V2000 3.9185 -0.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2955 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1195 0.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8194 1.0854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0119 1.7044 0.0000 C 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 2.5774 -0.3037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1017 -0.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9195 -0.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7872 -1.7473 0.0000 O 0 0 0 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 0 0 0 0 0 0 0 0 0 0 3.5577 2.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2861 2.7827 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6537 3.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2347 4.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0016 5.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0365 4.0215 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 5.6421 2.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7272 1.9185 0.0000 C 0 0 0 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 5.1571 0.8402 0.0000 O 0 0 0 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 2.9054 3.8115 0.0000 C 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 2.0328 3.8466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 4.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 5.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1155 4.8522 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 0.9820 3.1366 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 -0.7040 2.3264 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 -0.1620 0.9163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0206 0.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2691 -0.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5776 1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3832 1.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9402 1.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6917 2.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8862 2.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3292 2.1217 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 1.2857 0.0899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4069 -0.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1729 -1.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7586 -1.2619 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 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 6 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 12 22 1 0 0 0 0 22 23 2 0 0 0 0 13 24 1 0 0 0 0 5 24 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 26 27 1 6 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 0 0 0 0 34 35 1 1 0 0 0 34 36 1 0 0 0 0 36 37 1 1 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 40 45 1 0 0 0 0 46 36 1 1 0 0 0 31 46 1 0 0 0 0 46 47 1 0 0 0 0 6 47 1 0 0 0 0 47 48 1 6 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 > NP0326017 > 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-XZOGGQITSA-N > C37H44O14 > 712.745 > 712.273106097 > 8 > 95 > 70.87924177002611 > 0 > 1 > 0 > 0 > (1R,2R,3R,4S,5S,7R,8R,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 > 195.09999999999997 > 172.40839999999997 > 13 > 0 > (1R,2R,3R,4S,5S,7R,8R,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 > NP0326017 > (1r,2r,3r,4s,5s,7r,8r,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 $$$$