Mrv1652309022216542D 50 54 0 0 1 0 999 V2000 1.4158 -2.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7095 -2.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1123 -2.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9899 -1.2560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1025 -1.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3574 -0.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2759 0.1682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0531 1.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6603 1.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6154 2.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3962 1.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0948 0.0680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6098 -0.5994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2498 -0.1040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0388 -0.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0073 -1.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7685 -0.2158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7387 -1.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4061 -1.8993 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9806 -2.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2209 -1.7704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0127 -2.5839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0475 -3.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7776 -3.8558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3498 -3.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3821 -4.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6844 -5.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9543 -4.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9219 -3.9679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6197 -3.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 -1.1030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0154 -1.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8566 -2.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3757 -1.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1522 -2.8939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5208 -1.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8955 -0.4972 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7342 -0.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 0.0863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7012 0.8734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4369 1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4393 2.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1501 0.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5771 -0.2881 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9097 0.1969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9632 1.1054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5424 1.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7174 1.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9547 2.5483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4175 -0.6913 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 1 0 0 0 0 9 11 2 0 0 0 0 7 12 1 0 0 0 0 12 13 1 6 0 0 0 13 14 1 6 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 25 30 1 0 0 0 0 21 31 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 31 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 1 0 0 0 37 39 1 0 0 0 0 39 40 1 1 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 44 39 1 1 0 0 0 31 44 1 0 0 0 0 44 45 1 0 0 0 0 12 45 1 0 0 0 0 45 46 1 6 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 2 0 0 0 0 50 19 1 6 0 0 0 4 50 1 0 0 0 0 12 50 1 0 0 0 0 M END > NP0157511 > NP-MRD > C[C@H]1C[C@@]2(OC(C)=O)[C@H]([C@H]1OC(C)=O)[C@@H](OC(C)=O)[C@@]13[C@@H](OC(C)=O)O[C@](C)([C@@H]1[C@H](C=C[C@H]3OC(C)=O)C(C)=C)[C@@H]2OC(=O)C1=CC=CN=C1 > InChI=1S/C36H43NO13/c1-17(2)25-12-13-26(44-19(4)38)36-29(25)34(9,50-33(36)47-22(7)41)32(48-31(43)24-11-10-14-37-16-24)35(49-23(8)42)15-18(3)28(45-20(5)39)27(35)30(36)46-21(6)40/h10-14,16,18,25-30,32-33H,1,15H2,2-9H3/t18-,25+,26+,27+,28-,29-,30+,32-,33-,34+,35+,36-/m0/s1 > HMLAXYUEYCSDRE-PJGWDLTOSA-N > C36H43NO13 > 697.734 > 697.273440449 > 8 > 93 > 69.50198558802033 > 0 > 0 > 0 > 0 > (1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,14R,15R)-2,4,7,14,15-pentakis(acetyloxy)-5,9-dimethyl-11-(prop-1-en-2-yl)-16-oxatetracyclo[7.5.2.0^{1,10}.0^{3,7}]hexadec-12-en-8-yl pyridine-3-carboxylate > 3.14 > 2.222005879999999 > -4.40 > 1 > 5 > 0 > 3.2388747077555053 > 179.91999999999996 > 169.8323 > 14 > 0 > 2.81e-02 g/l > (1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,14R,15R)-2,4,7,14,15-pentakis(acetyloxy)-5,9-dimethyl-11-(prop-1-en-2-yl)-16-oxatetracyclo[7.5.2.0^{1,10}.0^{3,7}]hexadec-12-en-8-yl pyridine-3-carboxylate > 0 > NP0157511 > (1r,2r,3r,4s,5s,7r,8s,9r,10r,11s,14r,15r)-2,4,7,14,15-pentakis(acetyloxy)-5,9-dimethyl-11-(prop-1-en-2-yl)-16-oxatetracyclo[7.5.2.0¹,¹⁰.0³,⁷]hexadec-12-en-8-yl pyridine-3-carboxylate $$$$