71625279 -OEChem-05042415462D 76 83 0 1 0 0 0 0 0999 V2000 5.0395 -1.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4805 -2.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7507 -1.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -2.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0154 2.0442 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0154 0.3725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5328 -0.4633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9805 -1.2991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0154 -1.2991 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5328 1.2084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7124 -0.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3478 -0.8064 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9805 0.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4631 -0.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0503 0.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5677 -0.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5677 1.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0395 2.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0851 0.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7427 -1.6026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0851 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9220 2.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1296 -2.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0098 3.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 0.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5840 4.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5878 4.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4805 -2.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1218 -2.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5245 -3.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6374 -0.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5087 -3.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9115 -4.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9036 -4.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5287 -1.9766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3290 0.9107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2565 -0.3745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0294 0.4556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6262 -0.3572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5631 0.5846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8728 0.9831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 -0.8618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 -0.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4668 0.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6487 0.5347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6754 1.8189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 1.4204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1109 2.8335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4205 2.2516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5028 -1.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 1.8672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5397 2.5198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5048 -2.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5923 3.2499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 0.9095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1457 4.0187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7448 4.8798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5342 4.9866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9888 4.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3755 -1.9702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4805 -2.7851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1005 -2.1652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4805 -1.5452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7264 -2.5136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0918 -2.0314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1036 -2.8657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0032 -3.6564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0174 -0.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9297 -4.0279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0301 -3.2372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3068 -4.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9414 -4.8622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7199 -4.9611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4548 -4.6527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 21 1 0 0 0 0 8 2 1 1 0 0 0 2 29 1 0 0 0 0 20 3 1 6 0 0 0 3 61 1 0 0 0 0 4 26 1 0 0 0 0 4 76 1 0 0 0 0 5 10 1 0 0 0 0 5 18 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 1 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 1 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 36 1 1 0 0 0 10 17 1 0 0 0 0 10 37 1 6 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 20 1 0 0 0 0 12 40 1 6 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 18 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 19 2 0 0 0 0 16 21 1 0 0 0 0 17 19 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 25 1 0 0 0 0 20 23 1 0 0 0 0 20 51 1 0 0 0 0 21 26 2 0 0 0 0 22 24 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 30 1 0 0 0 0 23 31 1 0 0 0 0 23 54 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 24 55 1 0 0 0 0 25 32 2 0 0 0 0 25 56 1 0 0 0 0 26 32 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 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 33 1 0 0 0 0 30 65 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 69 1 0 0 0 0 33 35 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 34 35 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 35 74 1 0 0 0 0 35 75 1 0 0 0 0 M END > 71625279 > 1 > 857 > 5 > 2 > 5 > AAADcfB6OAAAAAAAAAAAAAAAGAAAASAAAAA8YMGDAAAWAEjxAAAAHgAACAAAD3zhmAYyBoMABgCAAiBCAAACCAAgIAAIiAAOiIgNNiKGsRuGeCOlwBGLuAfw8P8PoAABAAAYQADQAAaAADSAAAAAAAAAAA== > (1S,2S,6R,14R,15R,16R)-16-[(S)-cyclohexyl(hydroxy)methyl]-5-(cyclopropylmethyl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol > (1S,2S,6R,14R,15R,16R)-16-[(S)-cyclohexyl(hydroxy)methyl]-5-(cyclopropylmethyl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]eicosa-8(20),9,11-trien-11-ol > (1S,2S,6R,14R,15R,16R)-16-[(S)-cyclohexyl(hydroxy)methyl]-5-(cyclopropylmethyl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol > (1S,2S,6R,14R,15R,16R)-16-[(S)-cyclohexyl(hydroxy)methyl]-5-(cyclopropylmethyl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol > (1S,2S,6R,14R,15R,16R)-16-[(S)-cyclohexyl(oxidanyl)methyl]-5-(cyclopropylmethyl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol > (1S,2S,6R,14R,15R,16R)-16-[(S)-cyclohexyl(hydroxy)methyl]-5-(cyclopropylmethyl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]eicosa-8(20),9,11-trien-11-ol > InChI=1S/C30H41NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h9-10,18-19,21,23,25,27,32-33H,2-8,11-17H2,1H3/t21-,23-,25+,27-,28-,29+,30-/m1/s1 > UFQCIXPQGNXIEB-RNOORVPFSA-N > 5.4 > 479.30355879 > C30H41NO4 > 479.6 > COC12CCC3(CC1C(C4CCCCC4)O)C5CC6=C7C3(C2OC7=C(C=C6)O)CCN5CC8CC8 > CO[C@]12CC[C@@]3(C[C@@H]1[C@H](C4CCCCC4)O)[C@H]5CC6=C7[C@]3([C@H]2OC7=C(C=C6)O)CCN5CC8CC8 > 62.2 > 479.30355879 > 0 > 35 > 7 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 37 6 12 40 6 16 19 8 16 21 8 19 25 8 8 2 5 21 26 8 25 32 8 26 32 8 20 3 6 6 11 5 7 15 5 9 36 5 $$$$