Mrv1652309092208222D 27 32 0 0 0 0 999 V2000 1.4239 2.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 1.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 2.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 1.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8659 1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6647 0.8590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7152 0.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9477 -0.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7414 -1.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4228 0.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6024 0.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0226 0.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2244 0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8043 0.0732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0061 -0.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -0.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9046 0.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5352 1.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 1.9376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2359 2.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9304 1.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2741 3.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 -0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1659 -1.3092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3842 -0.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1798 -0.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 5 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 2 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 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 15 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 11 26 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 M END > NP0280534 > NP-MRD > CC1CC23OC2(C1OC(C)=O)C1C(C2=C(CCC1=C)OC=C2C)C1(C)OC31 > InChI=1S/C22H26O5/c1-10-6-7-14-15(12(3)9-24-14)17-16(10)22-18(25-13(4)23)11(2)8-21(22,27-22)19-20(17,5)26-19/h9,11,16-19H,1,6-8H2,2-5H3 > XUGOJFTWXOCTSX-UHFFFAOYSA-N > C22H26O5 > 370.445 > 370.178023937 > 3 > 53 > 39.785600250201625 > 1 > 0 > 0 > 1 > 4,7,17-trimethyl-13-methylidene-3,9,19-trioxahexacyclo[13.3.1.0^{1,15}.0^{2,4}.0^{5,14}.0^{6,10}]nonadeca-6(10),7-dien-16-yl acetate > 2.804212279333332 > 0 > 6 > 0 > -2.655153895994037 > 64.5 > 96.67420000000001 > 2 > 1 > 4,7,17-trimethyl-13-methylidene-3,9,19-trioxahexacyclo[13.3.1.0^{1,15}.0^{2,4}.0^{5,14}.0^{6,10}]nonadeca-6(10),7-dien-16-yl acetate > 0 > NP0280534 > 4,7,17-trimethyl-13-methylidene-3,9,19-trioxahexacyclo[13.3.1.0¹,¹⁵.0²,⁴.0⁵,¹⁴.0⁶,¹⁰]nonadeca-6(10),7-dien-16-yl acetate $$$$