Mrv0541 11181313272D 36 40 0 0 0 0 999 V2000 -0.5957 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5749 0.6207 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3164 -0.6041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7452 -0.5749 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0246 -0.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7619 -1.3997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1833 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6832 0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 0.8581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3330 -1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4868 -1.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4493 -0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0579 -1.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 1.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1909 -1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4832 1.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1742 -0.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0038 0.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6249 -1.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6457 -2.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 0.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2872 2.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2705 1.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 2.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5082 2.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9115 -1.7663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -3.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5666 1.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3164 0.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7286 0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9075 -2.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2743 -2.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3664 -3.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7702 -2.2245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0329 -0.9998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0299 0.9699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 13 1 0 0 0 0 7 1 2 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 6 1 0 0 0 0 12 4 1 0 0 0 0 13 10 1 0 0 0 0 14 2 1 0 0 0 0 15 11 1 0 0 0 0 9 16 1 0 0 0 0 17 12 2 0 0 0 0 18 14 1 0 0 0 0 10 19 1 6 0 0 0 20 19 1 0 0 0 0 21 8 2 0 0 0 0 22 23 1 0 0 0 0 23 16 2 0 0 0 0 24 16 1 0 0 0 0 25 24 2 0 0 0 0 26 15 2 0 0 0 0 27 20 2 0 0 0 0 2 28 1 6 0 0 0 3 29 1 1 0 0 0 4 30 1 1 0 0 0 31 11 1 0 0 0 0 32 11 1 0 0 0 0 33 20 1 0 0 0 0 6 34 1 6 0 0 0 5 35 1 6 0 0 0 9 8 1 0 0 0 0 18 5 1 0 0 0 0 6 4 1 0 0 0 0 25 22 1 0 0 0 0 15 17 1 0 0 0 0 9 36 1 1 0 0 0 M END > CHEBI:67280 > azadiradione > A tetracyclic triterpenoid that is 4,4,8-trimethylandrosta-1,14-diene substituted by oxo groups at positions 3 and 16, an acetoxy group at position 7 and a furan-3-yl group at position 17. Isolated from Azadirachta indica, it exhibits antimycobacterial and anti-inflammatory activities. > 3 > 24-Nor-5alpha,13alpha,17alpha-chola-1,14,20,22-tetraene-3,16-dione, 21,23-epoxy-7alpha-hydroxy-4,4,8-trimethyl-,acetate > (5alpha,7alpha,13alpha,17alpha)-17-(furan-3-yl)-4,4,8-trimethyl-3,16-dioxoandrosta-1,14-dien-7-yl acetate > C28H34O5 > 450.56660 > 450.24062 > 0 > CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C(=O)C=C3[C@]12C)c1ccoc1 > InChI=1S/C28H34O5/c1-16(29)33-23-14-20-25(2,3)22(31)8-11-26(20,4)19-7-10-27(5)21(28(19,23)6)13-18(30)24(27)17-9-12-32-15-17/h8-9,11-13,15,19-20,23-24H,7,10,14H2,1-6H3/t19-,20+,23-,24-,26-,27-,28-/m1/s1 > KWAMDQVQFVBEAU-HMWIRDDCSA-N > 26241-51-0 > 5858436 > 26241-51-0 > 12713364; 1593280; 18617378; 19475987; 22928548 $$$$