Mrv1652307012117483D 94 98 0 0 0 0 999 V2000 10.9672 1.2589 -1.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 0.5722 -1.4021 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6244 -0.6678 -1.6098 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4647 1.2585 -1.1649 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2218 0.5341 -1.1651 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1327 1.5134 -0.8879 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7426 0.9297 -0.8549 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5684 -0.1342 0.1990 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8499 0.5225 1.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4122 -1.0034 0.0189 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2988 -2.0678 1.1133 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8867 -2.1271 1.5792 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3239 -0.7697 1.2147 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6510 0.1806 2.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -0.5592 -0.1105 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6629 0.7420 -0.6604 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1763 0.7136 -1.0215 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7018 0.2474 0.0798 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0394 1.4762 0.9014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -0.8660 0.9002 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0133 -1.2126 2.0595 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4057 -1.5935 1.5714 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9196 -0.5555 0.6430 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3806 -0.7015 0.2879 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7095 -2.0665 -0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2522 -0.4906 1.5008 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8586 0.8960 1.5595 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8151 1.0136 0.4213 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1555 0.7025 -0.8826 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1887 2.0134 -1.6929 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9093 -0.3081 -1.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7116 0.4113 -0.6607 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9256 0.3368 -1.9610 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4801 0.6071 -1.5503 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0009 -0.3479 -0.5145 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7099 -1.6280 -1.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0273 2.0868 -0.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7857 0.5491 -1.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2470 1.6099 -2.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3609 -0.2107 -0.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1551 0.0702 -2.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1266 2.2247 -1.7676 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3677 2.1385 -0.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5008 0.4965 -1.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 1.7936 -0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4728 -0.8169 0.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9464 0.8252 1.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3534 1.5338 1.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7765 -0.0879 2.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6627 -1.6214 -0.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 -3.0987 0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0383 -1.9110 1.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3135 -2.8997 1.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 -2.3004 2.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7888 0.3191 2.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4573 -0.2282 2.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0223 1.1702 1.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4903 -1.3056 -0.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 1.6124 -0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 0.8456 -1.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 1.7903 -1.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0577 0.1797 -1.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1913 2.2271 0.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1817 1.2744 1.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9055 2.0417 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1974 -1.7865 0.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5885 -2.1711 2.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0388 -0.5225 2.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0067 -1.6101 2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3995 -2.6239 1.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8998 0.4005 1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1309 -2.8603 0.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6248 -2.1649 -1.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7877 -2.3025 -0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7861 -0.6645 2.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1448 -1.1856 1.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4776 0.8998 2.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1374 1.7005 1.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2897 2.0165 0.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6532 0.2892 0.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1675 1.8111 -2.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4447 2.7254 -1.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2094 2.4469 -1.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7053 0.2304 -2.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3245 -0.8640 -2.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5228 -0.9869 -1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3107 1.3455 -0.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0587 -0.5932 -2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2347 1.1962 -2.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8932 0.4256 -2.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3985 1.6632 -1.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4088 -1.7312 -2.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8399 -2.5477 -0.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7056 -1.6747 -1.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 1 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 1 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 6 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 6 0 0 0 15 10 1 0 0 0 0 35 18 1 0 0 0 0 20 13 1 0 0 0 0 35 23 1 0 0 0 0 32 24 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 44 1 0 0 0 0 7 45 1 0 0 0 0 8 46 1 6 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 10 50 1 6 0 0 0 11 51 1 0 0 0 0 11 52 1 0 0 0 0 12 53 1 0 0 0 0 12 54 1 0 0 0 0 14 55 1 0 0 0 0 14 56 1 0 0 0 0 14 57 1 0 0 0 0 15 58 1 6 0 0 0 16 59 1 0 0 0 0 16 60 1 0 0 0 0 17 61 1 0 0 0 0 17 62 1 0 0 0 0 19 63 1 0 0 0 0 19 64 1 0 0 0 0 19 65 1 0 0 0 0 20 66 1 6 0 0 0 21 67 1 0 0 0 0 21 68 1 0 0 0 0 22 69 1 0 0 0 0 22 70 1 0 0 0 0 23 71 1 1 0 0 0 25 72 1 0 0 0 0 25 73 1 0 0 0 0 25 74 1 0 0 0 0 26 75 1 0 0 0 0 26 76 1 0 0 0 0 27 77 1 0 0 0 0 27 78 1 0 0 0 0 28 79 1 0 0 0 0 28 80 1 0 0 0 0 30 81 1 0 0 0 0 30 82 1 0 0 0 0 30 83 1 0 0 0 0 31 84 1 0 0 0 0 31 85 1 0 0 0 0 31 86 1 0 0 0 0 32 87 1 1 0 0 0 33 88 1 0 0 0 0 33 89 1 0 0 0 0 34 90 1 0 0 0 0 34 91 1 0 0 0 0 36 92 1 0 0 0 0 36 93 1 0 0 0 0 36 94 1 0 0 0 0 M END > NP0003786 > NP-MRD > [H]C([H])([H])C(=O)OC([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@]1(C([H])([H])[H])[C@]2([H])C([H])([H])C([H])([H])[C@]2([H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]3([H])C([H])([H])C([H])([H])[C@@]12C([H])([H])[H] > InChI=1S/C34H58O2/c1-23(11-9-22-36-24(2)35)25-14-19-31(5)26(25)15-20-33(7)28(31)12-13-29-32(6)18-10-17-30(3,4)27(32)16-21-34(29,33)8/h23,25-29H,9-22H2,1-8H3/t23-,25-,26+,27+,28-,29-,31+,32+,33-,34-/m1/s1 > YHXLYBAPAPGTCA-DSFAHIJBSA-N > C34H58O2 > 498.836 > 498.443681108 > 1 > 94 > 63.270925104340655 > 1 > 0 > 0 > 0 > (4R)-4-[(1R,2R,5S,6R,9S,10R,13R,14S,19S)-1,2,9,14,18,18-hexamethylpentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosan-6-yl]pentyl acetate > 7.16 > 8.920087482666666 > -7.66 > 1 > 5 > 0 > -6.993812497305767 > 26.3 > 149.8975 > 6 > 0 > 1.09e-05 g/l > (4R)-4-[(1R,2R,5S,6R,9S,10R,13R,14S,19S)-1,2,9,14,18,18-hexamethylpentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosan-6-yl]pentyl acetate > 1 > NP0003786 > (22R)-(17bH,21bH)-bis-Homohopan-32-ol acetate $$$$