-ISIS- 05031710462D 35 38 0 0 0 0 0 0 0 0999 V2000 2.1458 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 -7.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 -7.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7167 -7.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7167 -6.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9333 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -7.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2958 -7.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -6.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5042 -5.7583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5042 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -5.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -2.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -8.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1708 -8.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -8.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -9.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -10.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7833 -10.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -10.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -11.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -10.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -10.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -8.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -9.8458 0.0000 C 0 0 0 0 0 0 0 0 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 10 11 1 0 0 0 0 11 12 1 0 0 0 0 5 13 1 1 0 0 0 10 14 1 6 0 0 0 9 15 1 6 0 0 0 12 16 1 0 0 0 0 18 19 1 0 0 0 0 19 16 1 0 0 0 0 17 20 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 16 17 2 0 0 0 0 7 32 1 6 0 0 0 3 22 1 6 0 0 0 22 23 1 0 0 0 0 3 23 1 1 0 0 0 24 25 1 0 0 0 0 4 24 1 6 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 30 31 1 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 32 34 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 G 32 7 OAc M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 32 33 34 35 M SBL 1 1 21 M SMT 1 OAc M SBV 1 21 0.0000 0.9100 M END > CFN92752 > Ajugacumbin A > 124961-66-6 > 98% > C27H38O7 > 474.6 > Powder > Diterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Ajugacumbin-A-CFN92752.html $$$$