Mrv1533004241500042D 27 28 0 0 0 0 999 V2000 2.0566 0.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8616 0.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4206 0.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1076 -0.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -0.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4715 -0.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2765 -0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5225 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9635 -1.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2095 -2.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6505 -3.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8455 -2.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2865 -3.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5325 -4.3664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4816 -3.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2356 -2.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7946 -2.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5486 -1.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7066 -1.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5259 -2.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7684 -2.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8965 -3.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8355 0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6665 -0.0030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2255 0.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9795 1.3912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0305 0.4230 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 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 4 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 4 0 0 0 13 14 1 0 0 0 0 13 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 4 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 16 20 1 0 0 0 0 20 21 2 0 0 0 0 11 22 1 0 0 0 0 7 23 1 0 0 0 0 5 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M END > NP0231557 > NP-MRD > CC(C)C1C2OC(=O)C(CC(O)C=C(C)CCC=C(C)CC1OC(C)=O)=C2 > InChI=1S/C22H32O5/c1-13(2)21-19(26-16(5)23)10-15(4)8-6-7-14(3)9-18(24)11-17-12-20(21)27-22(17)25/h8-9,12-13,18-21,24H,6-7,10-11H2,1-5H3 > CBPIZTNTZKKYKN-UHFFFAOYSA-N > C22H32O5 > 376.493 > 376.22497413 > 3 > 59 > 40.94234625666871 > 1 > 1 > 0 > 1 > 3-hydroxy-5,9-dimethyl-15-oxo-12-(propan-2-yl)-14-oxabicyclo[11.2.1]hexadeca-1(16),4,8-trien-11-yl acetate > 3.48 > 3.688679276 > -4.28 > 0 > 2 > 0 > 14.813769901518523 > 12.757798485122624 > -2.883703124987626 > 72.83000000000001 > 106.2092 > 3 > 1 > 1.98e-02 g/l > 3-hydroxy-12-isopropyl-5,9-dimethyl-15-oxo-14-oxabicyclo[11.2.1]hexadeca-1(16),4,8-trien-11-yl acetate > 0 > NP0231557 > 3-hydroxy-12-isopropyl-5,9-dimethyl-15-oxo-14-oxabicyclo[11.2.1]hexadeca-1(16),4,8-trien-11-yl acetate $$$$