Mrv1652309042201242D 50 54 0 0 1 0 999 V2000 0.9007 -7.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7606 -6.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -6.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3543 -5.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3077 -4.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4741 -5.0332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7839 -3.9131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7938 -2.9611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9938 -2.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7682 -1.9661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3426 -1.3740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1427 -1.5754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2799 -0.6572 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1604 0.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7953 -1.1738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8217 -1.9984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0355 -2.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6844 -3.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1063 -4.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1213 -3.6939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3683 -2.3690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2480 -2.5364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5875 -3.4011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8672 -4.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 -4.9718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4764 -4.9370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3089 -5.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5445 -5.7970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8124 -1.9347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6047 -2.1644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4360 -2.5675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3222 -2.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 -2.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8102 -3.4507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0681 -1.4818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8767 -1.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5620 -0.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7860 -1.1101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6958 -0.2798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9349 -0.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3378 -1.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5051 -0.1213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1842 -0.5457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4238 0.3769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3989 1.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9243 2.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0403 1.8775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5426 -1.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1022 -0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3432 -1.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 8 7 1 6 0 0 0 8 9 1 0 0 0 0 10 9 1 6 0 0 0 11 10 1 0 0 0 0 12 11 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 1 0 0 0 13 15 1 0 0 0 0 16 15 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 21 16 1 1 0 0 0 21 8 1 0 0 0 0 21 12 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 26 24 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 1 0 0 0 22 29 1 0 0 0 0 29 30 1 6 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 6 0 0 0 35 37 1 0 0 0 0 38 37 1 0 0 0 0 29 38 1 0 0 0 0 38 39 1 6 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 2 0 0 0 0 43 38 1 0 0 0 0 13 43 1 0 0 0 0 43 44 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 2 0 0 0 0 11 48 1 6 0 0 0 10 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 M END > NP0184316 > NP-MRD > C[C@@H](O)C(=O)O[C@@H]1[C@H]2[C@@H](OC(C)=O)[C@@H](C)C[C@]2(OC(C)=O)[C@H](OC(C)=O)[C@@]2(C)O[C@H](OC(C)=O)[C@@]11[C@H]2[C@@H]2[C@H](C[C@H]1OC(=O)CC(C)=C)C2(C)C > InChI=1S/C36H50O14/c1-15(2)12-24(42)47-23-13-22-25(33(22,9)10)28-34(11)31(45-19(6)39)35(49-21(8)41)14-16(3)27(44-18(5)38)26(35)29(48-30(43)17(4)37)36(23,28)32(50-34)46-20(7)40/h16-17,22-23,25-29,31-32,37H,1,12-14H2,2-11H3/t16-,17+,22-,23+,25-,26+,27-,28-,29+,31+,32-,34-,35+,36-/m0/s1 > GDAYLEAQHVQBCO-JLEZXTOJSA-N > C36H50O14 > 706.782 > 706.32005629 > 8 > 100 > 28.403010404675886 > 0 > 1 > 0 > 0 > (1R,2R,3R,4S,5S,7R,8R,9S,10R,11S,13S,15R,16R)-4,7,8,16-tetrakis(acetyloxy)-2-{[(2R)-2-hydroxypropanoyl]oxy}-5,9,12,12-tetramethyl-17-oxapentacyclo[7.6.2.0^{1,10}.0^{3,7}.0^{11,13}]heptadecan-15-yl 3-methylbut-3-enoate > 2.009360853666667 > 1 > 5 > 0 > 12.99784094899271 > -3.6745443689105874 > 187.25999999999996 > 168.34820000000005 > 15 > 0 > (1R,2R,3R,4S,5S,7R,8R,9S,10R,11S,13S,15R,16R)-4,7,8,16-tetrakis(acetyloxy)-2-{[(2R)-2-hydroxypropanoyl]oxy}-5,9,12,12-tetramethyl-17-oxapentacyclo[7.6.2.0^{1,10}.0^{3,7}.0^{11,13}]heptadecan-15-yl 3-methylbut-3-enoate > 0 > NP0184316 > (1r,2r,3r,4s,5s,7r,8r,9s,10r,11s,13s,15r,16r)-4,7,8,16-tetrakis(acetyloxy)-2-{[(2r)-2-hydroxypropanoyl]oxy}-5,9,12,12-tetramethyl-17-oxapentacyclo[7.6.2.0¹,¹⁰.0³,⁷.0¹¹,¹³]heptadecan-15-yl 3-methylbut-3-enoate $$$$