Mrv1533004271512212D 49 55 0 0 0 0 999 V2000 5.4679 -3.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9762 -3.0088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1566 -3.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8288 -3.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0092 -3.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6814 -4.7123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5175 -3.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6979 -3.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3701 -4.1444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5506 -4.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2227 -4.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0588 -3.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2062 -2.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3866 -2.8196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3236 -3.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1051 -2.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2227 -1.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 -0.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0423 -1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 -1.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3536 -1.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6814 -1.1162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 -1.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8288 -0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 0.3980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6649 1.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1731 1.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4844 1.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6483 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9762 0.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1401 -0.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9596 -0.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2874 0.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1070 0.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4348 0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5987 -0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4514 -1.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2709 -1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9811 -0.8856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7626 -1.9679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4348 -2.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9265 -3.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6153 -2.8196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1235 -2.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3040 -2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8122 -1.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9927 -1.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6649 -2.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8453 -2.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 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 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 13 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 24 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 32 37 1 0 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 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 37 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 31 46 1 0 0 0 0 46 47 1 0 0 0 0 23 47 1 0 0 0 0 47 48 2 0 0 0 0 3 48 1 0 0 0 0 48 49 1 0 0 0 0 7 49 1 0 0 0 0 21 49 2 0 0 0 0 M END > NP0197874 > NP-MRD > COC1=CC(=O)C2=C(OC(C)=O)C3=C(CC(C)OC3=O)C3=C2C1=C1C(O3)=C(OC(C)=O)C(=O)C2=C(OC(C)=O)C3=C(CC(C)OC3=O)C=C12 > InChI=1S/C35H26O14/c1-11-7-16-9-17-22-26-20(43-6)10-19(39)25-27(26)29(18-8-12(2)45-35(42)24(18)31(25)47-14(4)37)49-32(22)33(48-15(5)38)28(40)23(17)30(46-13(3)36)21(16)34(41)44-11/h9-12H,7-8H2,1-6H3 > JIGVQIOPJOCRIQ-UHFFFAOYSA-N > C35H26O14 > 670.579 > 670.132255517 > 9 > 75 > 66.99593550865511 > 1 > 0 > 0 > 0 > 11,14-bis(acetyloxy)-28-methoxy-7,20-dimethyl-9,13,22,26-tetraoxo-8,16,21-trioxaheptacyclo[15.11.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0¹⁸,²³.0²⁵,²⁹]nonacosa-1,3,5(10),11,14,17(29),18(23),24,27-nonaen-24-yl acetate > 3.46 > 2.1511124699999997 > -5.67 > 1 > 7 > 0 > 14.09522716867427 > -4.51136544614864 > 184.09999999999997 > 169.1452 > 7 > 0 > 1.45e-03 g/l > 11,14-bis(acetyloxy)-28-methoxy-7,20-dimethyl-9,13,22,26-tetraoxo-8,16,21-trioxaheptacyclo[15.11.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0¹⁸,²³.0²⁵,²⁹]nonacosa-1,3,5(10),11,14,17(29),18(23),24,27-nonaen-24-yl acetate > 0 > NP0197874 > 11,14-bis(acetyloxy)-28-methoxy-7,20-dimethyl-9,13,22,26-tetraoxo-8,16,21-trioxaheptacyclo[15.11.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0¹⁸,²³.0²⁵,²⁹]nonacosa-1,3(12),4,10,14,17,23,25(29),27-nonaen-24-yl acetate $$$$