Mrv1533004251509412D 28 30 0 0 0 0 999 V2000 6.4164 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7845 -0.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9277 -1.1485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0092 -0.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3772 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4587 -1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7425 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5993 -0.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7425 0.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5178 0.6606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5993 1.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2312 2.2856 0.0000 O 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 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 6 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 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 19 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 11 24 1 0 0 0 0 16 24 1 0 0 0 0 19 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 M END > NP0304955 > NP-MRD > CC(=O)OCC1(C)CCCC2(C)C1CCC1(C)OC(CO)(CCC21)C(O)CO > InChI=1S/C22H38O6/c1-15(25)27-14-19(2)8-5-9-20(3)16(19)6-10-21(4)17(20)7-11-22(13-24,28-21)18(26)12-23/h16-18,23-24,26H,5-14H2,1-4H3 > QPAYHBCUXRMDDV-UHFFFAOYSA-N > C22H38O6 > 398.54 > 398.266838944 > 5 > 66 > 45.12494404704847 > 1 > 3 > 0 > 1 > [3-(1,2-dihydroxyethyl)-3-(hydroxymethyl)-4a,7,10a-trimethyl-dodecahydro-1H-naphtho[2,1-b]pyran-7-yl]methyl acetate > 1.79 > 1.5603192709999987 > -4.08 > 1 > 3 > 0 > 14.373931151228224 > 13.118526913951275 > -2.978198595720662 > 96.22000000000001 > 105.03479999999999 > 6 > 1 > 3.31e-02 g/l > [3-(1,2-dihydroxyethyl)-3-(hydroxymethyl)-4a,7,10a-trimethyl-octahydro-1H-naphtho[2,1-b]pyran-7-yl]methyl acetate > 0 > NP0304955 > [3-(1,2-dihydroxyethyl)-3-(hydroxymethyl)-4a,7,10a-trimethyl-octahydro-1h-naphtho[2,1-b]pyran-7-yl]methyl acetate $$$$