Mrv1652309122213112D 29 32 0 0 1 0 999 V2000 0.5927 -3.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -2.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0115 -1.8328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4326 -1.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5189 -1.1617 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8514 -0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9377 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6913 0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9463 1.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4614 1.9314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7713 1.2639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0262 0.4793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7799 0.1437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4473 0.6287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8661 -0.6767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6198 -1.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1987 -1.1617 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8056 -1.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7704 -1.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1668 -2.5902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9916 -2.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7385 -3.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0572 -4.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4319 -4.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7268 -4.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9163 -3.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2725 -0.8261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3588 -0.0056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0732 -0.4181 0.0000 C 0 0 0 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 5 4 1 6 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 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 11 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 1 1 0 0 0 17 19 1 6 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 22 26 2 0 0 0 0 17 27 1 0 0 0 0 5 27 1 0 0 0 0 27 28 1 1 0 0 0 8 28 1 0 0 0 0 12 28 1 0 0 0 0 28 29 1 6 0 0 0 M END > NP0328062 > NP-MRD > C[C@@H]1[C@@H](O)[C@@H]2OC(=O)C3=CC[C@@H](OC(C)=O)[C@@H]([C@]23C)[C@@]1(C)C[C@H](O)C1=COC=C1 > InChI=1S/C22H28O7/c1-11-17(25)19-22(4)14(20(26)29-19)5-6-16(28-12(2)23)18(22)21(11,3)9-15(24)13-7-8-27-10-13/h5,7-8,10-11,15-19,24-25H,6,9H2,1-4H3/t11-,15+,16-,17-,18-,19+,21+,22-/m1/s1 > XXBGXOLYHBENMA-HTDUXLRBSA-N > C22H28O7 > 404.459 > 404.183503242 > 4 > 57 > 41.678326035186785 > 1 > 2 > 0 > 1 > (1R,7R,8R,9S,10S,11R,12S)-9-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-11-hydroxy-9,10,12-trimethyl-3-oxo-2-oxatricyclo[6.3.1.0^{4,12}]dodec-4-en-7-yl acetate > 1.6489061400000002 > 0 > 4 > 0 > 14.254389939676852 > 13.644671809983326 > -2.88823727184347 > 106.20000000000002 > 102.64390000000002 > 5 > 1 > (1R,7R,8R,9S,10S,11R,12S)-9-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-11-hydroxy-9,10,12-trimethyl-3-oxo-2-oxatricyclo[6.3.1.0^{4,12}]dodec-4-en-7-yl acetate > 0 > NP0328062 > (1r,7r,8r,9s,10s,11r,12s)-9-[(2s)-2-(furan-3-yl)-2-hydroxyethyl]-11-hydroxy-9,10,12-trimethyl-3-oxo-2-oxatricyclo[6.3.1.0⁴,¹²]dodec-4-en-7-yl acetate $$$$