Ketcher 08151617082D 1 1.00000 0.00000 0 27 33 0 1 0 999 V2000 12.5654 -8.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4401 -8.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5656 -7.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3149 -8.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4402 -6.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3149 -7.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6908 -8.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6908 -9.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4400 -9.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5654 -10.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8161 -8.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9414 -8.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8162 -10.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9415 -9.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6062 -11.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6018 -11.2028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1909 -10.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2030 -10.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1895 -8.5945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2432 -7.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3150 -6.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8733 -7.5843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3147 -9.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1911 -6.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1897 -5.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0665 -7.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6943 -10.6112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 7 1 1 0 0 0 2 1 1 0 0 0 10 8 1 0 0 0 10 9 1 0 0 0 11 7 1 0 0 0 8 7 1 0 0 0 12 11 1 0 0 0 13 8 1 0 0 0 14 12 1 0 0 0 15 13 1 0 0 0 14 13 2 0 0 0 16 15 1 0 0 0 17 14 1 0 0 0 17 16 1 0 0 0 17 18 2 0 0 0 4 19 2 0 0 0 7 20 1 1 0 0 5 21 1 6 0 0 6 5 1 0 0 0 6 21 1 6 0 0 1 22 1 1 0 0 3 1 1 0 0 0 3 22 1 1 0 0 2 23 1 1 0 0 9 2 1 0 0 0 9 23 1 1 0 0 6 24 1 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 8 27 1 6 0 0 M END > CHEBI:132267 > triptonide > A diterpene triepoxide that is triptobenzene K in which the acylhydroquinone moiety has undergone oxidation to the corresponding triepoxyketone derivative. It has been isolated from the roots of Tripterygium wilfordii. > 3 > (-)-triptonide > (3bS,4aS,5aS,6aS,7aS,7bS,8aS,8bS)-6a-isopropyl-8b-methyl-3b,4,4a,7a,7b,8b,9,10-octahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1,6(3H,6aH)-dione > C20H22O6 > 358.386 > 358.14164 > 0 > [C@]123[C@]4(CCC5=C([C@@]4(C[C@H]6[C@]3(C([C@@]7([C@H]([C@@H]1O2)O7)C(C)C)=O)O6)[H])COC5=O)C > InChI=1S/C20H22O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14H,4-7H2,1-3H3/t11-,12-,13-,14-,17-,18-,19+,20+/m0/s1 > SWOVVKGLGOOUKI-ZHGGVEMFSA-N > 5313008 > 292103 > 10774048; 12903464; 24346247; 25296383; 25308753; 5072337; 8237400; 9863222 $$$$