Marvin 04041314572D 36 40 0 0 0 0 999 V2000 -2.6398 -2.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0493 -2.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4633 -2.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8362 2.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2541 2.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6675 2.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4776 -2.0464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7627 -1.6300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0501 -0.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 -0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3322 -0.8032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3349 -1.6291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6250 -2.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9079 -1.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6197 -0.3904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9072 -0.8077 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8987 0.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6185 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1863 0.4235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1958 -0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5093 -0.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2286 -0.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5286 0.8296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2352 0.4074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9502 0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9647 1.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 1.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 0.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9143 0.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1916 1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9477 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9474 -0.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6641 0.4093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3432 -2.4524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6245 -1.2156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5228 0.0043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 8 2 1 0 0 0 0 3 2 1 0 0 0 0 2 12 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 26 5 1 0 0 0 0 5 27 1 0 0 0 0 8 7 1 1 0 0 0 8 10 1 0 0 0 0 11 9 1 0 0 0 0 9 10 1 0 0 0 0 11 28 1 1 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 6 0 0 0 13 14 1 0 0 0 0 14 16 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 35 1 6 0 0 0 16 20 1 0 0 0 0 16 29 1 1 0 0 0 19 17 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 19 30 1 6 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 24 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 23 36 1 1 0 0 0 24 25 1 0 0 0 0 24 31 1 1 0 0 0 25 26 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 M END > CHEBI:73107 > maprounic acid > A pentacyclic triterpenoid isolated from Maprounea africana and has been shown to exhibit inhibitory activity against HIV-1 reverse transcriptase. > 3 > aleuritolic acid > (4aS,6bR,8aR,10S,12aR,12bR,14aS,14bS)-10-hydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydropicene-4a(2H)-carboxylic acid > C30H48O3 > 456.70030 > 456.36035 > 0 > [H][C@@]12CC[C@@]3(C)C4=CC[C@]5(CCC(C)(C)C[C@@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2(C)C)C(O)=O > InChI=1S/C30H48O3/c1-25(2)16-17-30(24(32)33)15-10-21-28(6)12-8-19-26(3,4)23(31)11-14-27(19,5)20(28)9-13-29(21,7)22(30)18-25/h10,19-20,22-23,31H,8-9,11-18H2,1-7H3,(H,32,33)/t19-,20+,22-,23-,27-,28+,29+,30+/m0/s1 > BHHPRAFMEFGOLZ-QVUWEPBXSA-N > 26549-17-7 > 2823779 > 26549-17-7 > 22493952; 2723669; 6631436; 7515410 $$$$