Mrv1652304292203222D 28 31 0 0 1 0 999 V2000 6.0303 0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2053 0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7928 1.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2053 1.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0303 1.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4428 1.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0590 2.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7299 2.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7928 2.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2053 3.2066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9678 2.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5553 1.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9678 1.0632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5553 0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9678 -0.3658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7303 0.3487 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3178 1.0632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7303 1.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3178 2.4921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6033 0.6507 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6033 1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1908 -0.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3178 -0.3658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7303 -1.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5553 -1.0803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3178 -1.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3803 0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5553 3.2066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 4 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 3 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 12 18 1 0 0 0 0 18 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 17 21 1 1 0 0 0 20 22 1 1 0 0 0 16 23 1 6 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 13 27 1 1 0 0 0 11 28 1 0 0 0 0 M END > NP0080331 > NP-MRD > C[C@H]1C[C@@]11[C@@H](OC(C)=O)C(=O)[C@@]2(C)C3=C(C(=O)C(O)=C2C1=O)C(C)(C)CC=C3 > InChI=1S/C22H24O6/c1-10-9-22(10)17(26)14-16(25)15(24)13-12(7-6-8-20(13,3)4)21(14,5)18(27)19(22)28-11(2)23/h6-7,10,19,25H,8-9H2,1-5H3/t10-,19-,21-,22+/m0/s1 > ABTOGHSSQRRREB-MXYJANBUSA-N > C22H24O6 > 384.428 > 384.157288493 > 5 > 52 > 39.16363893380586 > 1 > 1 > 0 > 1 > (1S,3S,3'R,4'aS)-10'-hydroxy-3,4'a,8',8'-tetramethyl-1',4',9'-trioxo-3',4',4'a,7',8',9'-hexahydro-1'H-spiro[cyclopropane-1,2'-phenanthrene]-3'-yl acetate > 2.77 > 2.8241842269999995 > -4.01 > 0 > 4 > 0 > 16.9477838498817 > 11.562314980344226 > -2.6704009175861882 > 97.74 > 102.98409999999998 > 2 > 1 > 3.78e-02 g/l > (1S,3S,3'R,4'aS)-10'-hydroxy-3,4'a,8',8'-tetramethyl-1',4',9'-trioxo-3',7'-dihydrospiro[cyclopropane-1,2'-phenanthrene]-3'-yl acetate > 0 > NP0080331 > (+)-Xanthanthusin K $$$$