60110349 -OEChem-04232421182D 69 72 0 1 0 0 0 0 0999 V2000 5.3788 -4.8640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0622 -6.0308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9077 -5.1421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5741 1.4157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2948 -3.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7031 -1.3824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0052 0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3963 5.6964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4447 -0.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8786 -1.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8786 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5021 -1.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2551 -1.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2796 -2.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3786 -3.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 -2.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2847 -4.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1491 -3.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3686 -1.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8610 -3.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1408 -5.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0793 -4.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4866 -2.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8802 -3.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0080 0.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2697 -2.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2926 -5.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1374 2.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8863 -6.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8070 -4.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7036 3.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2669 3.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7064 3.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8330 4.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2725 4.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8358 4.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9624 6.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2084 -0.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4372 -0.9435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7406 -0.6080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0607 -2.2633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8886 -1.5096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8264 -0.2652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7046 -3.2672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3652 -0.9547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1270 -4.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6097 -4.2858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6749 -5.8068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2391 -6.4779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9102 -5.9137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5813 1.8090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6408 2.6038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5351 -7.1082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3972 -6.9486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2375 -6.0864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0781 -5.2623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3646 -4.4336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5358 -4.1472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 -3.9557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8172 -4.7309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5925 -4.3212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8852 3.9228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3571 2.7054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 4.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5668 5.5034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5210 6.8663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6934 7.1559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4038 6.3283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 27 1 0 0 0 0 2 21 1 0 0 0 0 2 29 1 0 0 0 0 3 22 1 0 0 0 0 3 30 1 0 0 0 0 4 25 1 0 0 0 0 4 28 1 0 0 0 0 5 26 1 0 0 0 0 5 32 1 0 0 0 0 6 23 2 0 0 0 0 7 25 2 0 0 0 0 8 35 1 0 0 0 0 8 38 1 0 0 0 0 10 9 1 1 0 0 0 9 25 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 14 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 16 1 0 0 0 0 13 19 2 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 20 2 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 18 45 1 0 0 0 0 19 23 1 0 0 0 0 19 46 1 0 0 0 0 20 24 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 23 26 1 0 0 0 0 24 26 2 0 0 0 0 24 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 31 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 33 35 1 0 0 0 0 33 63 1 0 0 0 0 34 36 2 0 0 0 0 34 64 1 0 0 0 0 35 37 2 0 0 0 0 36 37 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 38 67 1 0 0 0 0 38 68 1 0 0 0 0 38 69 1 0 0 0 0 M END > 60110349 > 1 > 943 > 8 > 1 > 9 > AAADceB6PAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAABggAAAABQAAAHgAQAAAADCzhmAYyDoLABACIAqBSGAKCCAAgIAAIiIBOiMkNJyKEsR6MMCIl1hUKqYfQ8P8OoAABCAAYQABAAAIQADCAAAAAAAAAAA== > (3-methoxyphenyl)methyl N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamate > N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamic acid (3-methoxyphenyl)methyl ester > (3-methoxyphenyl)methyl N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamate > (3-methoxyphenyl)methyl N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamate > (3-methoxyphenyl)methyl N-[(7S)-1,2,3,10-tetramethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamate > N-[(7S)-9-keto-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamic acid m-anisyl ester > InChI=1S/C29H31NO8/c1-33-19-8-6-7-17(13-19)16-38-29(32)30-22-11-9-18-14-25(35-3)27(36-4)28(37-5)26(18)20-10-12-24(34-2)23(31)15-21(20)22/h6-8,10,12-15,22H,9,11,16H2,1-5H3,(H,30,32)/t22-/m0/s1 > IPCDAIVMOYMIAO-QFIPXVFZSA-N > 2.9 > 521.20496695 > C29H31NO8 > 521.6 > COC1=CC=CC(=C1)COC(=O)NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)OC)OC)OC)OC > COC1=CC=CC(=C1)COC(=O)N[C@H]2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)OC)OC)OC)OC > 102 > 521.20496695 > 0 > 38 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 16 8 13 19 8 14 15 8 14 18 8 15 17 8 16 20 8 17 21 8 18 22 8 19 23 8 20 24 8 21 22 8 23 26 8 24 26 8 31 33 8 31 34 8 33 35 8 34 36 8 35 37 8 36 37 8 10 9 5 $$$$