23670524 -OEChem-03282414462D 73 75 0 1 0 0 0 0 0999 V2000 2.0000 -0.3512 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8512 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 0.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1719 0.7420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.8512 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2583 -1.8512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3923 -0.3512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2045 -0.5465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2045 -2.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7882 -1.3512 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 12.3923 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 -0.3512 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2583 1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3512 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 0.6488 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 8.0622 -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 1 0 0 0 0 0 0 0 0 0 8.9282 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3629 2.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8410 1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3410 2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3483 -0.0060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3483 -2.6964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 -0.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7419 -0.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9535 0.0204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9535 -2.7229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7419 -2.4652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2490 -1.7659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2490 -0.9365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 -1.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 -2.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.3388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.6237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.6237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2002 0.0738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 0.6118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 1.6857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3008 0.1356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9021 2.5582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -2.4338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -1.7436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -1.8512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -1.8512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4576 1.4204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5932 2.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -1.8143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -2.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -2.8882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 19 1 0 0 0 0 2 22 1 0 0 0 0 3 16 2 0 0 0 0 4 34 1 0 0 0 0 5 34 2 0 0 0 0 6 20 1 0 0 0 0 6 32 1 0 0 0 0 6 62 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 36 1 1 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 37 1 6 0 0 0 9 13 1 0 0 0 0 9 16 1 1 0 0 0 9 38 1 0 0 0 0 10 12 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 1 0 0 0 13 45 1 0 0 0 0 14 15 2 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 16 20 1 0 0 0 0 17 24 2 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 28 1 6 0 0 0 18 49 1 0 0 0 0 19 25 1 6 0 0 0 19 50 1 0 0 0 0 20 29 2 0 0 0 0 21 23 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 22 53 1 6 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 27 1 0 0 0 0 24 56 1 0 0 0 0 25 27 2 0 0 0 0 25 30 1 0 0 0 0 26 31 1 1 0 0 0 26 34 1 0 0 0 0 26 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 28 61 1 0 0 0 0 29 33 1 0 0 0 0 29 63 1 0 0 0 0 30 35 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 66 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 35 71 1 0 0 0 0 35 72 1 0 0 0 0 35 73 1 0 0 0 0 M CHG 2 1 1 4 -1 M END > 23670524 > 1 > 837 > 4 > 1 > 8 > AAADcfB6OCAAAAAAAAAAAAAAAAAAAeIAAAAkQAAAAAAAAEABgAAAHgAQAAAADRzhlgY+iJLJlACoA7T3TACCgCA3AiAI2aG4ZNgIJPbAtbGGEQhlsADI6YeYyeCOgAAAAAAAAAAAAAAAAAAAAAAACAAAAA== > sodium;(2R)-2-[(2R,5S,6R)-6-[(1E,3E)-4-[(3aR,4S,5S,7aS)-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]-1-ethyl-buta-1,3-dienyl]-5-methyl-tetrahydropyran-2-yl]propanoate > sodium;(2R)-2-[(2R,5S,6R)-6-[(3E,5E)-6-[(3aR,4S,5S,7aS)-4-[oxo(1H-pyrrol-2-yl)methyl]-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyl-2-oxanyl]propanoate > sodium;(2R)-2-[(2R,5S,6R)-6-[(3E,5E)-6-[(3aR,4S,5S,7aS)-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyloxan-2-yl]propanoate > sodium;(2R)-2-[(2R,5S,6R)-6-[(3E,5E)-6-[(3aR,4S,5S,7aS)-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyloxan-2-yl]propanoate > sodium;(2R)-2-[(2R,5S,6R)-6-[(3E,5E)-6-[(3aR,4S,5S,7aS)-4-(1H-pyrrol-2-ylcarbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyl-oxan-2-yl]propanoate > sodium;(2R)-2-[(2R,5S,6R)-6-[(1E,3E)-4-[(3aR,4S,5S,7aS)-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]-1-ethyl-buta-1,3-dienyl]-5-methyl-tetrahydropyran-2-yl]propionate > InChI=1S/C29H39NO4.Na/c1-4-20(28-18(2)13-16-25(34-28)19(3)29(32)33)8-5-10-22-15-14-21-9-6-11-23(21)26(22)27(31)24-12-7-17-30-24;/h5,7-8,10,12,14-15,17-19,21-23,25-26,28,30H,4,6,9,11,13,16H2,1-3H3,(H,32,33);/q;+1/p-1/b10-5+,20-8+;/t18-,19+,21-,22+,23+,25+,26+,28+;/m0./s1 > CTADJXGYSIFIAD-AAHXXMDQSA-M > 487.26985298 > C29H38NNaO4 > 487.6 > CCC(=CC=CC1C=CC2CCCC2C1C(=O)C3=CC=CN3)C4C(CCC(O4)C(C)C(=O)[O-])C.[Na+] > CC/C(=C\C=C\[C@@H]1C=C[C@@H]2CCC[C@H]2[C@@H]1C(=O)C3=CC=CN3)/[C@H]4[C@H](CC[C@@H](O4)[C@@H](C)C(=O)[O-])C.[Na+] > 82.2 > 487.26985298 > 0 > 35 > 8 > 0 > 2 > 0 > 0 > 2 > 9 > 1 4 7 > 1 5 255 > 13 17 5 18 28 6 19 25 6 20 29 8 22 53 6 26 31 5 29 33 8 32 33 8 6 20 8 6 32 8 7 36 5 8 37 6 9 16 5 $$$$