Mrv1652309012222532D 47 51 0 0 1 0 999 V2000 1.3626 -2.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6351 -2.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0724 -2.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9478 -1.2553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0603 -1.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2716 -0.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2166 0.1601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1461 0.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9403 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 0.7492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0778 2.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 2.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9885 3.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3528 3.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 3.4277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4421 2.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0366 0.0699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5597 -0.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6985 -1.4166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3717 -1.8935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9394 -2.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -1.7547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9701 -2.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0956 -3.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8592 -3.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4434 -3.9262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6619 -1.0815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9324 -1.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8039 -1.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2418 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1904 -2.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -1.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8439 -0.4613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6571 -0.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2536 0.1151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6050 0.9166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3632 1.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 2.1749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0758 0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7921 1.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5231 -0.2682 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8499 0.2087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8800 1.0865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4244 1.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6002 1.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8048 2.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3685 -0.6854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 2 1 1 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 11 16 1 0 0 0 0 7 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 20 21 1 1 0 0 0 20 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 22 27 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 27 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 1 0 0 0 33 35 1 0 0 0 0 35 36 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 41 35 1 1 0 0 0 27 41 1 0 0 0 0 41 42 1 0 0 0 0 17 42 1 0 0 0 0 42 43 1 6 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 2 0 0 0 0 47 20 1 6 0 0 0 4 47 1 0 0 0 0 17 47 1 0 0 0 0 M END > NP0142366 > NP-MRD > CCC(=O)O[C@H]1[C@@H](C)C[C@@]2(OC(C)=O)[C@H]1[C@@H](OC(C)=O)[C@@]13CO[C@](C)([C@@H]1[C@H](C=C[C@H]3OC(=O)C1=CC=CN=C1)C(C)=C)[C@@H]2OC(C)=O > InChI=1S/C35H43NO11/c1-9-26(40)46-28-19(4)15-35(47-22(7)39)27(28)30(43-20(5)37)34-17-42-33(8,32(35)44-21(6)38)29(34)24(18(2)3)12-13-25(34)45-31(41)23-11-10-14-36-16-23/h10-14,16,19,24-25,27-30,32H,2,9,15,17H2,1,3-8H3/t19-,24+,25+,27+,28-,29-,30+,32-,33+,34+,35+/m0/s1 > GUUVHELORAYJAH-PSNONLJUSA-N > C35H43NO11 > 653.725 > 653.283611209 > 7 > 90 > 66.39155266112671 > 0 > 0 > 0 > 0 > (1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,14R)-2,7,8-tris(acetyloxy)-5,9-dimethyl-11-(prop-1-en-2-yl)-4-(propanoyloxy)-16-oxatetracyclo[7.5.2.0^{1,10}.0^{3,7}]hexadec-12-en-14-yl pyridine-3-carboxylate > 3.51 > 2.8456402583333333 > -4.87 > 1 > 5 > 0 > 3.2386484458635256 > 153.62 > 164.27780000000007 > 13 > 0 > 8.73e-03 g/l > (1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,14R)-2,7,8-tris(acetyloxy)-5,9-dimethyl-11-(prop-1-en-2-yl)-4-(propanoyloxy)-16-oxatetracyclo[7.5.2.0^{1,10}.0^{3,7}]hexadec-12-en-14-yl pyridine-3-carboxylate > 0 > NP0142366 > (1r,2r,3r,4s,5s,7r,8s,9r,10r,11s,14r)-2,7,8-tris(acetyloxy)-5,9-dimethyl-11-(prop-1-en-2-yl)-4-(propanoyloxy)-16-oxatetracyclo[7.5.2.0¹,¹⁰.0³,⁷]hexadec-12-en-14-yl pyridine-3-carboxylate $$$$