Mrv1652309112222092D 57 61 0 0 1 0 999 V2000 -0.6880 3.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 2.8379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9851 1.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1781 1.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3739 2.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1809 2.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7329 2.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 3.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 4.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 3.7211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4358 1.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 2.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 2.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 3.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 3.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 4.6646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 5.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 4.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 5.9021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 3.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 3.8396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 4.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 5.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 5.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 2.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -1.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -2.7604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 -0.6979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1712 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6462 -0.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0587 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6462 0.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8837 0.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 -2.1269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 -2.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 -3.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 -2.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0768 0.9256 0.0000 C 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 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 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 2 0 0 0 0 12 13 1 0 0 0 0 14 13 1 6 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 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 0 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 2 0 0 0 0 19 32 1 0 0 0 0 16 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 34 39 1 0 0 0 0 39 40 2 0 0 0 0 15 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 14 42 1 0 0 0 0 42 43 1 1 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 2 0 0 0 0 46 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 2 0 0 0 0 51 56 2 0 0 0 0 43 56 1 0 0 0 0 13 57 2 0 0 0 0 5 57 1 0 0 0 0 M END > NP0319233 > NP-MRD > CC(=O)OC1=CC(\C=C\C2=CC=C(OC(C)=O)C(OC(C)=O)=C2)=C2[C@H]([C@@H](OC2=C1)C1=CC=C(OC(C)=O)C(OC(C)=O)=C1)C1=CC(OC(C)=O)=CC(OC(C)=O)=C1 > InChI=1S/C42H36O15/c1-21(43)50-32-16-31(17-33(19-32)51-22(2)44)41-40-29(10-8-28-9-12-35(53-24(4)46)37(14-28)55-26(6)48)15-34(52-23(3)45)20-39(40)57-42(41)30-11-13-36(54-25(5)47)38(18-30)56-27(7)49/h8-20,41-42H,1-7H3/b10-8+/t41-,42+/m1/s1 > SEFYQTJGRIJYRX-RKMBBPMBSA-N > C42H36O15 > 780.735 > 780.205420459 > 8 > 93 > 80.34753644663756 > 0 > 0 > 0 > 0 > (2R,3R)-2-[3,4-bis(acetyloxy)phenyl]-3-[3,5-bis(acetyloxy)phenyl]-4-[(E)-2-[3,4-bis(acetyloxy)phenyl]ethenyl]-2,3-dihydro-1-benzofuran-6-yl acetate > 4.729147898666667 > 1 > 5 > 0 > -4.890090028955119 > 193.32999999999998 > 198.06179999999998 > 18 > 0 > (2R,3R)-2-[3,4-bis(acetyloxy)phenyl]-3-[3,5-bis(acetyloxy)phenyl]-4-[(E)-2-[3,4-bis(acetyloxy)phenyl]ethenyl]-2,3-dihydro-1-benzofuran-6-yl acetate > 0 > NP0319233 > (2r,3r)-2-[3,4-bis(acetyloxy)phenyl]-3-[3,5-bis(acetyloxy)phenyl]-4-[(1e)-2-[3,4-bis(acetyloxy)phenyl]ethenyl]-2,3-dihydro-1-benzofuran-6-yl acetate $$$$