Mrv1652309062205222D 28 31 0 0 1 0 999 V2000 -0.6351 1.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0765 0.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7938 1.2247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0708 -0.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7825 -0.4253 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2739 -0.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2114 -0.4351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6021 0.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9428 0.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7627 0.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3189 1.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9286 -0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6403 -0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6346 -1.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9173 -1.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2057 -1.2601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4884 -1.6677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0144 -2.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9538 -2.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2306 -3.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -3.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8901 -4.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 -4.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4409 -4.4011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1266 -3.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5589 -2.9357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 -1.2503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0595 -1.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 5 4 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 6 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 7 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 16 15 1 6 0 0 0 7 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 1 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 21 25 1 0 0 0 0 25 26 2 0 0 0 0 17 27 1 0 0 0 0 5 27 1 0 0 0 0 27 28 1 6 0 0 0 M END > NP0224831 > NP-MRD > C[C@@H]1[C@@H](C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCC1=CCOC1=O)OC(C)=O > InChI=1S/C22H28O6/c1-13-17(28-14(2)23)11-22-12-27-20(25)16(22)5-4-6-18(22)21(13,3)9-7-15-8-10-26-19(15)24/h5,8,13,17-18H,4,6-7,9-12H2,1-3H3/t13-,17-,18-,21+,22-/m1/s1 > BZHFASODQUVSNS-KALBJQTESA-N > C22H28O6 > 388.46 > 388.188588622 > 3 > 56 > 41.24705327403561 > 1 > 0 > 0 > 1 > (6aR,7R,8S,9R,10aS)-7,8-dimethyl-3-oxo-7-[2-(2-oxo-2,5-dihydrofuran-3-yl)ethyl]-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[4,4a-c]furan-9-yl acetate > 3.1319603466666677 > 0 > 4 > 0 > 13.394100310477597 > -6.436417096282982 > 78.9 > 102.095 > 5 > 1 > (6aR,7R,8S,9R,10aS)-7,8-dimethyl-3-oxo-7-[2-(2-oxo-5H-furan-3-yl)ethyl]-1H,5H,6H,6aH,8H,9H,10H-naphtho[4,4a-c]furan-9-yl acetate > 0 > NP0224831 > (6ar,7r,8s,9r,10as)-7,8-dimethyl-3-oxo-7-[2-(2-oxo-5h-furan-3-yl)ethyl]-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-9-yl acetate $$$$