Mrv1533004241516292D 35 38 0 0 0 0 999 V2000 -0.7752 -1.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7752 -0.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0608 0.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6537 -0.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3682 0.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0826 -0.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0826 -1.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7971 0.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7971 0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5116 1.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2261 0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9405 1.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2261 0.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9405 -0.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9405 -1.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2261 -1.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5116 -1.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5116 -0.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2261 -2.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4897 0.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3465 0.9428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 1.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5342 1.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 0.7182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9467 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1217 -0.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5787 0.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2932 -0.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7220 0.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5344 1.0861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8166 1.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6290 2.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2863 2.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3095 1.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8398 2.2893 0.0000 O 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 3 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 2 0 0 0 0 11 12 1 0 0 0 0 11 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 2 0 0 0 0 17 18 1 0 0 0 0 8 18 1 0 0 0 0 13 18 1 0 0 0 0 16 19 1 0 0 0 0 2 20 1 0 0 0 0 20 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 24 25 1 0 0 0 0 25 26 1 0 0 0 0 20 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 29 34 1 0 0 0 0 23 34 1 0 0 0 0 34 35 1 0 0 0 0 M END > NP0188308 > NP-MRD > CC(CCCC(C)C1OCC2OC(O1)C(O)C(OC(C)=O)C2O)C1CC=C(C)C2CCC(C)=CC12 > InChI=1S/C28H44O7/c1-15-9-11-20-17(3)10-12-21(22(20)13-15)16(2)7-6-8-18(4)27-32-14-23-24(30)26(33-19(5)29)25(31)28(34-23)35-27/h10,13,16,18,20-28,30-31H,6-9,11-12,14H2,1-5H3 > RRGFNINTSUEEEO-UHFFFAOYSA-N > C28H44O7 > 492.653 > 492.308703757 > 6 > 79 > 55.03521595216148 > 1 > 2 > 0 > 0 > 3-[6-(4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalen-1-yl)heptan-2-yl]-7,9-dihydroxy-2,4,10-trioxabicyclo[4.3.1]decan-8-yl acetate > 4.04 > 4.508335229666666 > -4.89 > 1 > 4 > 0 > 13.204201777212404 > 12.253892026977315 > -3.663454283182178 > 94.45 > 132.54250000000002 > 8 > 1 > 6.34e-03 g/l > 3-[6-(4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalen-1-yl)heptan-2-yl]-7,9-dihydroxy-2,4,10-trioxabicyclo[4.3.1]decan-8-yl acetate > 0 > NP0188308 > 3-[6-(4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalen-1-yl)heptan-2-yl]-7,9-dihydroxy-2,4,10-trioxabicyclo[4.3.1]decan-8-yl acetate $$$$