-ISIS- 05031710462D 82 89 0 0 0 0 0 0 0 0999 V2000 4.0708 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0708 -7.4375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8208 -7.8667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5708 -7.4375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5708 -6.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8208 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -7.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -6.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3125 -6.1417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8125 -6.1417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8125 -5.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -5.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5500 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -6.1417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3000 -5.2833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5500 -4.8500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3208 -7.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -8.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5708 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -7.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -8.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 -4.8500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0500 -3.9917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3000 -3.5542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5500 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8667 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7292 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5708 -8.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -7.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5833 -7.4375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5833 -6.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -6.1417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0917 -6.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0917 -7.4375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8417 -7.8667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8417 -8.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3458 -7.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3458 -6.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -5.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -4.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -8.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5500 -5.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0958 -4.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0458 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9083 -4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -3.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2875 -3.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -2.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2875 -4.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0333 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7792 -3.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0958 -9.1583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3500 -8.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -9.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4000 -10.0208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3500 -10.4542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0958 -10.0208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3500 -11.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1417 -8.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1417 -10.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -10.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8917 -9.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4042 -5.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4042 -4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -4.4167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8958 -4.8500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8958 -5.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1500 -6.1417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6417 -6.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -3.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6417 -4.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -7.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 -3.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0458 -6.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -7.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6542 -5.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4000 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6542 -6.1417 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 17 47 1 1 0 0 0 25 48 1 6 0 0 0 26 49 1 1 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 2 0 0 0 0 51 53 1 0 0 0 0 51 54 2 0 0 0 0 54 55 1 0 0 0 0 56 39 1 1 0 0 0 56 57 1 0 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 56 1 0 0 0 0 60 62 1 1 0 0 0 58 63 1 1 0 0 0 59 64 1 6 0 0 0 61 65 1 6 0 0 0 63 66 1 0 0 0 0 67 41 1 1 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 67 1 0 0 0 0 71 73 1 1 0 0 0 69 74 1 1 0 0 0 70 75 1 6 0 0 0 72 76 1 6 0 0 0 74 77 1 0 0 0 0 47 78 1 0 0 0 0 16 79 1 6 0 0 0 48 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 M END > CFN93368 > Escin IA > 123748-68-5 > 98% > C55H86O24 > 1131.3 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Escin-IA-CFN93368.html $$$$