60160047 -OEChem-05132410452D 83 86 0 1 0 0 0 0 0999 V2000 15.0583 -0.8720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.3512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6004 -2.7909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6127 1.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.6488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.3512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.8512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9224 0.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0583 0.1696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1523 -1.3859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3923 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8375 0.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0231 1.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.8512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1523 0.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5038 1.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0005 1.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7862 -2.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4218 3.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4436 3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9436 2.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9573 0.0539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0534 1.0196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7618 -1.4994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5296 -0.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3405 -0.0928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9559 2.2842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4031 1.6655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 -0.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1451 1.3034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9204 0.5563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0040 1.3818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5659 2.1339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8066 2.4684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3067 -2.5523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1793 -2.6387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2657 -1.7662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 1.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 2.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7723 -3.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0123 -3.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8825 3.5582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1914 3.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3270 2.4204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.8143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.8882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 23 1 0 0 0 0 2 29 1 0 0 0 0 3 22 2 0 0 0 0 4 23 2 0 0 0 0 5 28 1 0 0 0 0 5 33 1 0 0 0 0 6 27 2 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 15 1 0 0 0 0 8 22 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 31 1 0 0 0 0 9 65 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 23 1 6 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 40 1 0 0 0 0 12 19 1 0 0 0 0 12 41 1 1 0 0 0 13 24 1 6 0 0 0 13 42 1 0 0 0 0 14 18 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 19 2 0 0 0 0 16 20 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 21 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 22 1 0 0 0 0 18 25 1 6 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 27 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 28 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 28 30 2 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 32 1 0 0 0 0 30 66 1 0 0 0 0 31 34 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 32 33 2 0 0 0 0 32 69 1 0 0 0 0 33 70 1 0 0 0 0 34 35 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 36 37 1 0 0 0 0 36 75 1 0 0 0 0 36 76 1 0 0 0 0 37 38 1 0 0 0 0 37 77 1 0 0 0 0 37 78 1 0 0 0 0 38 39 1 0 0 0 0 38 79 1 0 0 0 0 38 80 1 0 0 0 0 39 81 1 0 0 0 0 39 82 1 0 0 0 0 39 83 1 0 0 0 0 M END > 60160047 > 1 > 887 > 7 > 1 > 14 > AAADcfB7OAAAAAAAAAAAAAAAAAAAAaIAAAAsQAAAAAAAAACBgAAAHgAQAAAADxzhkAYyDIPABECIAK3S2ACCCAAkIgAIiIGODMgOJj6EtTuHGSjn9hGYqYed3wLPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > methyl (3R,4aR,5R,7S)-3-[2-(3-butoxypropylamino)-2-oxo-ethyl]-7-cyclopentyl-1-(2-furylmethyl)-5-methyl-2-oxo-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > (3R,4aR,5R,7S)-3-[2-(3-butoxypropylamino)-2-oxoethyl]-7-cyclopentyl-1-(2-furanylmethyl)-5-methyl-2-oxo-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester > methyl (3R,4aR,5R,7S)-3-[2-(3-butoxypropylamino)-2-oxoethyl]-7-cyclopentyl-1-(furan-2-ylmethyl)-5-methyl-2-oxo-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > methyl (3R,4aR,5R,7S)-3-[2-(3-butoxypropylamino)-2-oxoethyl]-7-cyclopentyl-1-(furan-2-ylmethyl)-5-methyl-2-oxo-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > methyl (3R,4aR,5R,7S)-3-[2-(3-butoxypropylamino)-2-oxidanylidene-ethyl]-7-cyclopentyl-1-(furan-2-ylmethyl)-5-methyl-2-oxidanylidene-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > (3R,4aR,5R,7S)-3-[2-(3-butoxypropylamino)-2-keto-ethyl]-7-cyclopentyl-1-(2-furfuryl)-2-keto-5-methyl-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester > InChI=1S/C30H44N2O7/c1-4-5-14-37-15-9-13-31-27(33)17-23-19-30(29(35)36-3)21(2)39-25(22-10-6-7-11-22)18-26(30)32(28(23)34)20-24-12-8-16-38-24/h8,12,16,18,21-23,25H,4-7,9-11,13-15,17,19-20H2,1-3H3,(H,31,33)/t21-,23+,25-,30+/m1/s1 > IBVVTBXAMLKICD-KNXLHJEUSA-N > 2.9 > 544.31485175 > C30H44N2O7 > 544.7 > CCCCOCCCNC(=O)CC1CC2(C(OC(C=C2N(C1=O)CC3=CC=CO3)C4CCCC4)C)C(=O)OC > CCCCOCCCNC(=O)C[C@H]1C[C@@]2([C@H](O[C@H](C=C2N(C1=O)CC3=CC=CO3)C4CCCC4)C)C(=O)OC > 107 > 544.31485175 > 0 > 39 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 23 6 12 41 5 13 24 6 18 25 6 28 30 8 30 32 8 32 33 8 5 28 8 5 33 8 $$$$