60157089 -OEChem-04262409112D 77 80 0 1 0 0 0 0 0999 V2000 11.5942 -0.8720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.3512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1362 -2.7909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 0.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 1.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.6488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.8512 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 -1.3859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7942 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.8512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 0.1696 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6882 0.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.8512 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 11.3221 -2.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 0.6729 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 8.0622 2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9576 3.1433 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 14.1904 0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9795 3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4795 2.4852 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 15.0583 0.1830 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 15.9224 0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0622 -0.8170 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 16.7904 0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9301 -1.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7942 -0.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2977 -1.4994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1318 -0.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6810 1.3034 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 10.8426 -2.5523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7152 -2.6387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8016 -1.7662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 1.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 2.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8550 1.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0580 1.1463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3082 -3.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5482 -3.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4184 3.5582 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 14.5871 1.1561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7900 1.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7273 3.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8629 2.4204 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 15.9200 1.3063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5264 -1.1291 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 17.3261 0.5017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9325 -1.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3323 -1.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 2 18 1 0 0 0 0 2 25 1 0 0 0 0 3 15 2 0 0 0 0 4 18 2 0 0 0 0 5 22 1 0 0 0 0 5 28 1 0 0 0 0 6 24 1 0 0 0 0 6 30 1 0 0 0 0 7 23 2 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 21 1 0 0 0 0 9 23 1 0 0 0 0 9 27 1 0 0 0 0 9 55 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 18 1 6 0 0 0 11 14 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 20 1 6 0 0 0 12 42 1 0 0 0 0 13 17 2 0 0 0 0 14 15 1 0 0 0 0 14 19 1 6 0 0 0 14 43 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 6 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 19 23 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 24 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 24 26 2 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 29 1 0 0 0 0 26 59 1 0 0 0 0 27 31 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 32 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 30 2 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 31 33 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 32 34 2 0 0 0 0 32 35 1 0 0 0 0 33 36 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 34 37 1 0 0 0 0 34 70 1 0 0 0 0 35 38 2 0 0 0 0 35 71 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 37 39 2 0 0 0 0 37 75 1 0 0 0 0 38 39 1 0 0 0 0 38 76 1 0 0 0 0 39 77 1 0 0 0 0 M END > 60157089 > 1 > 887 > 7 > 1 > 13 > AAADcfB7OAAAAAAAAAAAAAAAAAAAASAAAAA8QIAAAAAAAACBwAAAHgAQAAAADxzhmAYyDIPABECIAq3S2ACCCAAkIgAIiIGODMgPJj6EtTuHOSjn9hGaqYed3yLPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > methyl (3R,4aR,5R,7R)-7-(benzyloxymethyl)-3-[2-(butylamino)-2-oxo-ethyl]-1-(2-furylmethyl)-5-methyl-2-oxo-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > (3R,4aR,5R,7R)-3-[2-(butylamino)-2-oxoethyl]-1-(2-furanylmethyl)-5-methyl-2-oxo-7-(phenylmethoxymethyl)-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester > methyl (3R,4aR,5R,7R)-3-[2-(butylamino)-2-oxoethyl]-1-(furan-2-ylmethyl)-5-methyl-2-oxo-7-(phenylmethoxymethyl)-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > methyl (3R,4aR,5R,7R)-3-[2-(butylamino)-2-oxoethyl]-1-(furan-2-ylmethyl)-5-methyl-2-oxo-7-(phenylmethoxymethyl)-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > methyl (3R,4aR,5R,7R)-3-[2-(butylamino)-2-oxidanylidene-ethyl]-1-(furan-2-ylmethyl)-5-methyl-2-oxidanylidene-7-(phenylmethoxymethyl)-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > (3R,4aR,5R,7R)-7-(benzoxymethyl)-3-[2-(butylamino)-2-keto-ethyl]-1-(2-furfuryl)-2-keto-5-methyl-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester > InChI=1S/C30H38N2O7/c1-4-5-13-31-27(33)15-23-17-30(29(35)36-3)21(2)39-25(20-37-19-22-10-7-6-8-11-22)16-26(30)32(28(23)34)18-24-12-9-14-38-24/h6-12,14,16,21,23,25H,4-5,13,15,17-20H2,1-3H3,(H,31,33)/t21-,23+,25-,30+/m1/s1 > KKNDKYOIOUKSFG-KNXLHJEUSA-N > 2.2 > 538.26790156 > C30H38N2O7 > 538.6 > CCCCNC(=O)CC1CC2(C(OC(C=C2N(C1=O)CC3=CC=CO3)COCC4=CC=CC=C4)C)C(=O)OC > CCCCNC(=O)C[C@H]1C[C@@]2([C@H](O[C@H](C=C2N(C1=O)CC3=CC=CO3)COCC4=CC=CC=C4)C)C(=O)OC > 107 > 538.26790156 > 0 > 39 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 18 6 12 20 6 14 19 6 16 22 6 24 26 8 26 29 8 29 30 8 32 34 8 32 35 8 34 37 8 35 38 8 37 39 8 38 39 8 6 24 8 6 30 8 $$$$