Mrv0541 11181315272D 36 40 0 0 0 0 999 V2000 -0.2292 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 0.2250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9500 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3792 -0.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6583 -0.5750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3958 -1.7958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5500 -0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 0.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9667 -1.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1208 -2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6917 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9167 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8250 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8083 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6375 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2792 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -0.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 2.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5458 -2.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -3.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9542 -0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 -0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5417 -2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9083 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4042 -2.6208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6667 -1.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3966 0.5742 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 6 0 0 0 M END > CHEBI:67287 > 17-epiazadiradione > A limonoid that is the C-17 epimer of azadiradione. It has been isolated from Azadirachta indica. > 3 > (5alpha,7alpha,13alpha,17beta)-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-ZRCRZKIJSA-N > 5858437 > 21381696 $$$$