-ISIS- 05051721162D 80 87 0 0 0 0 0 0 0 0999 V2000 4.5292 -6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -7.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3000 -8.0125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0667 -7.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0667 -6.6875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3000 -6.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5958 -7.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5958 -6.6875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8292 -6.2458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3667 -6.2458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3667 -5.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5958 -4.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -5.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1208 -6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8917 -6.2458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8917 -5.3583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1208 -4.9208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7583 -8.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -8.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5958 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3667 -7.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -8.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6583 -4.9208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6583 -4.0333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8917 -3.5917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1208 -4.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4458 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3292 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -8.4583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -7.1292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -7.5708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0042 -6.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -6.2458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4750 -6.6875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4750 -7.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2417 -8.0125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2417 -8.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 -8.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 -6.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0083 -4.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6208 -8.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1208 -5.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -4.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5083 -5.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -9.3375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7125 -8.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0542 -9.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0542 -10.2208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7125 -10.6667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4792 -10.2208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7125 -11.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8167 -10.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -10.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -5.8042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0583 -4.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -4.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5875 -4.9208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5875 -5.8042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8250 -6.2458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3542 -6.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -3.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3542 -4.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -7.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5875 -3.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5458 -4.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 -6.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4250 -3.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4250 -2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1875 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6583 -2.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9542 -2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7167 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1875 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3125 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0750 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3125 -3.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 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 12 1 0 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 11 23 1 6 0 0 0 3 24 1 6 0 0 0 17 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 18 1 0 0 0 0 27 29 1 1 0 0 0 27 30 1 6 0 0 0 4 31 1 6 0 0 0 10 32 1 6 0 0 0 2 19 1 1 0 0 0 33 19 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 6 0 0 0 37 40 1 1 0 0 0 36 41 1 6 0 0 0 35 42 1 1 0 0 0 42 43 1 0 0 0 0 24 44 1 0 0 0 0 18 45 1 1 0 0 0 42 46 2 0 0 0 0 48 39 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 48 1 0 0 0 0 52 54 1 1 0 0 0 51 55 1 6 0 0 0 53 56 1 6 0 0 0 57 41 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 57 1 0 0 0 0 61 63 1 1 0 0 0 59 64 1 1 0 0 0 60 65 1 6 0 0 0 62 66 1 6 0 0 0 64 67 1 0 0 0 0 25 68 1 6 0 0 0 17 69 1 1 0 0 0 69 47 1 0 0 0 0 16 70 1 6 0 0 0 26 71 1 6 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 72 74 2 0 0 0 0 73 75 2 0 0 0 0 75 76 1 0 0 0 0 73 77 1 0 0 0 0 68 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 M END > CFN94818 > Aescin IIA > 158732-55-9 > 98% > C54H84O23 > 1101.23 > Powder > Triterpenoids > Pyridine, DMSO, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Aescin-IIA-CFN94818.html $$$$