Mrv1652309052204302D 48 52 0 0 1 0 999 V2000 3.9615 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3022 0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1232 0.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8035 1.0737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0119 1.7044 0.0000 C 0 0 2 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 2.6035 -0.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1999 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0026 -0.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9634 -1.7359 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 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 5.1446 0.8030 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 5.7215 1.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4734 2.8681 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 4.4461 3.6474 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 3.2258 3.7598 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 1.8955 3.8024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2874 4.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1114 4.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8399 5.2597 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 1.2991 3.3068 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 -0.7051 2.3478 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 -0.2071 0.9223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0123 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6141 1.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2002 -0.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5984 -0.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7863 -1.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5759 -1.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1777 -1.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9898 -0.3636 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 1.2876 0.1036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1588 -0.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8048 -1.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3914 -1.0660 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 5 4 1 6 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 1 6 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 6 0 0 0 20 18 1 1 0 0 0 12 20 1 0 0 0 0 20 21 1 0 0 0 0 5 21 1 0 0 0 0 21 22 1 6 0 0 0 21 23 1 0 0 0 0 23 24 1 6 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 23 28 1 0 0 0 0 28 29 1 1 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 1 0 0 0 31 33 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 37 42 1 0 0 0 0 43 33 1 1 0 0 0 28 43 1 0 0 0 0 43 44 1 0 0 0 0 6 44 1 0 0 0 0 44 45 1 6 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 2 0 0 0 0 M END > NP0206307 > 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](O)C(C)(C)C3=O)[C@@](C)([C@@H]1OC(C)=O)[C@H]2OC(C)=O)OC(C)=O > InChI=1S/C35H44O13/c1-16-14-34(43)24(25(16)47-29(42)21-12-10-9-11-13-21)28(44-17(2)36)35(48-20(5)39)15-22-23(27(41)32(6,7)26(22)40)33(8,30(34)45-18(3)37)31(35)46-19(4)38/h9-13,16,22-25,27-28,30-31,41,43H,14-15H2,1-8H3/t16-,22+,23+,24+,25-,27-,28+,30+,31-,33+,34+,35+/m0/s1 > IJZXVGYMXRRNJK-NMDRDPGTSA-N > C35H44O13 > 672.724 > 672.278191477 > 8 > 92 > 67.73629511209258 > 0 > 2 > 0 > 0 > (1R,2R,3R,4S,5S,7R,8R,9R,10S,11S,14R,16S)-1,2,8,16-tetrakis(acetyloxy)-7,11-dihydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0^{3,7}.0^{10,14}]hexadecan-4-yl benzoate > 2.174898386333332 > 1 > 5 > 0 > 14.128957858356976 > 13.307799450445199 > -3.1131304139697837 > 189.02999999999997 > 162.72459999999998 > 11 > 0 > (1R,2R,3R,4S,5S,7R,8R,9R,10S,11S,14R,16S)-1,2,8,16-tetrakis(acetyloxy)-7,11-dihydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0^{3,7}.0^{10,14}]hexadecan-4-yl benzoate > 0 > NP0206307 > (1r,2r,3r,4s,5s,7r,8r,9r,10s,11s,14r,16s)-1,2,8,16-tetrakis(acetyloxy)-7,11-dihydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadecan-4-yl benzoate $$$$