Mrv1652309092212072D 31 33 0 0 0 0 999 V2000 5.3592 -3.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0737 -3.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0737 -2.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7882 -3.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5027 -3.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5027 -2.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2171 -3.6719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9316 -3.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6461 -3.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -2.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1158 -4.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3979 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2104 -5.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7407 -4.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0229 -5.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4585 -3.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9888 -3.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8013 -3.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0835 -4.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6138 -3.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8959 -4.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1781 -5.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8926 -4.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8926 -3.7827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7084 -5.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5209 -5.5090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4262 -6.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9565 -7.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6478 -5.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8353 -5.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5532 -4.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 9 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 22 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 22 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 19 31 1 0 0 0 0 14 31 1 0 0 0 0 M END > NP0283031 > NP-MRD > CC(C)CC(=O)OCC1(C)CCCC2(C)C1CCC1(C)OC(CO)(CCC21)C(O)CO > InChI=1S/C25H44O6/c1-17(2)13-21(29)30-16-22(3)9-6-10-23(4)18(22)7-11-24(5)19(23)8-12-25(15-27,31-24)20(28)14-26/h17-20,26-28H,6-16H2,1-5H3 > ZISAHQWTSFATDH-UHFFFAOYSA-N > C25H44O6 > 440.621 > 440.313789137 > 5 > 75 > 51.20963945879908 > 1 > 3 > 0 > 0 > [3-(1,2-dihydroxyethyl)-3-(hydroxymethyl)-4a,7,10a-trimethyl-dodecahydro-1H-naphtho[2,1-b]pyran-7-yl]methyl 3-methylbutanoate > 2.9924428793333337 > 1 > 3 > 0 > 14.373931151228224 > 13.118526913951275 > -2.978198595720662 > 96.22000000000001 > 118.81129999999999 > 8 > 1 > [3-(1,2-dihydroxyethyl)-3-(hydroxymethyl)-4a,7,10a-trimethyl-octahydro-1H-naphtho[2,1-b]pyran-7-yl]methyl 3-methylbutanoate > 0 > NP0283031 > [3-(1,2-dihydroxyethyl)-3-(hydroxymethyl)-4a,7,10a-trimethyl-octahydro-1h-naphtho[2,1-b]pyran-7-yl]methyl 3-methylbutanoate $$$$