Mrv1533004261503012D 24 28 0 0 0 0 999 V2000 4.2124 2.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3997 1.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0826 2.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8846 2.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0528 1.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4300 0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1721 0.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6339 0.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0992 0.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5644 -0.4222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 -0.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0055 -0.7423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2743 0.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7520 -0.1569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 1.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3099 1.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7347 2.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3154 2.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1805 2.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6791 3.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5206 1.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4727 1.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6888 1.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1741 0.7834 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 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 2 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 11 12 2 0 0 0 0 9 13 1 0 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 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 2 21 1 0 0 0 0 15 21 1 0 0 0 0 17 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 15 24 1 0 0 0 0 M END > NP0327892 > NP-MRD > CC12CCCC3(C)C1C(OC2=O)C(O)C12CC(CC(O)C31)C(=C)C2 > InChI=1S/C20H28O4/c1-10-8-20-9-11(10)7-12(21)14(20)18(2)5-4-6-19(3)15(18)13(16(20)22)24-17(19)23/h11-16,21-22H,1,4-9H2,2-3H3 > BSUSNTHCECKPSS-UHFFFAOYSA-N > C20H28O4 > 332.44 > 332.198759382 > 3 > 52 > 35.928786001782925 > 1 > 2 > 0 > 1 > 3,9-dihydroxy-1,13-dimethyl-6-methylidene-11-oxapentacyclo[8.6.1.1⁵,⁸.0²,⁸.0¹³,¹⁷]octadecan-12-one > 1.49 > 1.9357761480000004 > -2.60 > 0 > 5 > 0 > 14.923597397725427 > 13.668186626990508 > -2.846617788791627 > 66.76 > 88.26389999999999 > 0 > 1 > 8.31e-01 g/l > 3,9-dihydroxy-1,13-dimethyl-6-methylidene-11-oxapentacyclo[8.6.1.1⁵,⁸.0²,⁸.0¹³,¹⁷]octadecan-12-one > 0 > NP0327892 > 3,9-dihydroxy-1,13-dimethyl-6-methylidene-11-oxapentacyclo[8.6.1.1⁵,⁸.0²,⁸.0¹³,¹⁷]octadecan-12-one $$$$