Mrv1652309032210432D 25 30 0 0 0 0 999 V2000 8.2164 0.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4118 0.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8517 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0523 -1.2034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0268 -0.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5910 -0.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8690 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9374 -0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -0.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2784 -0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6719 0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1821 1.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0060 0.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4251 1.5457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5795 0.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4418 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8780 -1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0349 -1.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3919 0.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6756 1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5032 1.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1805 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5204 0.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9357 1.1647 0.0000 O 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 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 13 15 1 0 0 0 0 8 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 9 18 1 0 0 0 0 16 19 1 0 0 0 0 6 19 1 0 0 0 0 15 20 1 0 0 0 0 5 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 2 23 1 0 0 0 0 23 24 1 0 0 0 0 5 24 1 0 0 0 0 24 25 1 0 0 0 0 M END > NP0171983 > NP-MRD > CC12CCC(O)C34C(OC1)OC(CC23)C12C(O)C(CCC41)C(=C)C2=O > InChI=1S/C20H26O5/c1-9-10-3-4-11-19-12-7-14(20(11,15(9)22)16(10)23)25-17(19)24-8-18(12,2)6-5-13(19)21/h10-14,16-17,21,23H,1,3-8H2,2H3 > MOBGVVQDJSDAER-UHFFFAOYSA-N > C20H26O5 > 346.423 > 346.178023937 > 5 > 51 > 36.17388354112046 > 1 > 2 > 0 > 1 > 2,20-dihydroxy-5-methyl-13-methylidene-7,9-dioxahexacyclo[8.7.2.1^{11,14}.0^{1,8}.0^{5,18}.0^{11,17}]icosan-12-one > 0.56 > 1.2439505866666671 > -2.07 > 0 > 6 > 0 > 14.673613398470327 > 13.982342170287076 > -3.005302356689577 > 75.99000000000001 > 88.42 > 0 > 1 > 2.93e+00 g/l > 2,20-dihydroxy-5-methyl-13-methylidene-7,9-dioxahexacyclo[8.7.2.1^{11,14}.0^{1,8}.0^{5,18}.0^{11,17}]icosan-12-one > 0 > NP0171983 > 2,20-dihydroxy-5-methyl-13-methylidene-7,9-dioxahexacyclo[8.7.2.1¹¹,¹⁴.0¹,⁸.0⁵,¹⁸.0¹¹,¹⁷]icosan-12-one $$$$