Mrv1652309072219112D 25 26 0 0 1 0 999 V2000 6.2697 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9842 0.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9842 1.7354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6986 0.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4131 0.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1276 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8421 0.9104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8421 1.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5565 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2710 0.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9855 0.4979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4552 -0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2676 1.2732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7373 1.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0801 1.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6104 0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3282 0.0092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1407 0.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8585 -0.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6710 -0.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9532 0.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5764 -1.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7639 -1.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2336 -0.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5158 -0.1341 0.0000 C 0 0 2 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 7 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 11 10 1 1 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 19 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 25 24 1 6 0 0 0 11 25 1 0 0 0 0 17 25 1 0 0 0 0 M END > NP0253349 > NP-MRD > C[C@H](CCOC(C)=O)CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC=C2CO > InChI=1S/C22H38O3/c1-16(11-14-25-18(3)24)9-12-21(4)17(2)10-13-22(5)19(15-23)7-6-8-20(21)22/h7,16-17,20,23H,6,8-15H2,1-5H3/t16-,17+,20+,21-,22-/m0/s1 > JXJUDJCWRDJMCG-HFQQBTNDSA-N > C22H38O3 > 350.543 > 350.282095084 > 2 > 63 > 42.33121888272069 > 1 > 1 > 0 > 1 > (3S)-5-[(1S,2R,4aR,8aR)-5-(hydroxymethyl)-1,2,4a-trimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]-3-methylpentyl acetate > 4.511403051 > 0 > 2 > 0 > 17.500113043060097 > -1.7052483203563744 > 46.53 > 103.3565 > 8 > 1 > (3S)-5-[(1S,2R,4aR,8aR)-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentyl acetate > 0 > NP0253349 > (3s)-5-[(1s,2r,4ar,8ar)-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentyl acetate $$$$