Marvin 04261312142D 37 41 0 0 0 0 999 V2000 -2.3583 -21.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 -21.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0718 -22.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5130 -20.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8666 -19.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5179 -20.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8744 -21.3703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7049 -20.4491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0651 -19.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7089 -18.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8937 -20.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2474 -20.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9045 -18.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2547 -19.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0154 -17.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 -17.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3656 -18.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4845 -18.9710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2549 -19.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8308 -18.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4473 -18.0160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8127 -17.2763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3548 -16.5900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7735 -15.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3695 -15.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4558 -15.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8755 -15.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4698 -16.5891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2632 -21.2057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4792 -19.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3542 -17.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 -17.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7004 -15.8592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8606 -14.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -16.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2708 -18.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 -21.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 4 5 2 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 9 10 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 17 1 0 0 0 0 3 2 1 0 0 0 0 21 22 1 0 0 0 0 8 11 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 10 13 1 0 0 0 0 4 6 1 0 0 0 0 11 12 1 0 0 0 0 12 14 1 0 0 0 0 13 14 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 6 29 2 0 0 0 0 6 7 1 0 0 0 0 18 30 1 6 0 0 0 8 2 1 0 0 0 0 17 31 1 1 0 0 0 7 2 1 0 0 0 0 22 32 1 1 0 0 0 13 16 1 0 0 0 0 27 33 2 0 0 0 0 14 18 1 0 0 0 0 26 34 1 0 0 0 0 17 15 1 0 0 0 0 23 35 1 1 0 0 0 15 16 1 0 0 0 0 21 36 1 6 0 0 0 17 18 1 0 0 0 0 8 37 1 6 0 0 0 M END > CHEBI:66431 > schisanlactone A > A tetracyclic triterpenoid isolated from Schisandra and Kadsura longipedunculata. It has been shown to exhibit inhibitory activity against HIV protease. > 3 > (3R,3aR,11aR,13bR)-3a,11,11,13b-tetramethyl-3-{(1S)-1-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-2,3,3a,4,5,11,11a,12,13,13b-decahydroindeno[5',4':4,5]cyclohepta[1,2-c]oxepin-9(1H)-one > C30H40O4 > 464.63620 > 464.29266 > 0 > [H][C@@]1(CC=C(C)C(=O)O1)[C@@H](C)[C@@]1([H])CC[C@@]2(C)C3=C(CC[C@]12C)C=C1C=CC(=O)OC(C)(C)[C@]1([H])CC3 > InChI=1S/C30H40O4/c1-18-7-11-25(33-27(18)32)19(2)22-14-16-30(6)24-10-9-23-20(8-12-26(31)34-28(23,3)4)17-21(24)13-15-29(22,30)5/h7-8,12,17,19,22-23,25H,9-11,13-16H2,1-6H3/t19-,22+,23+,25+,29+,30-/m0/s1 > VJNOAOVMGNCSPJ-ZCTPSQTASA-N > 10310316 > 16394567; 18547117; 19813754 $$$$