Mrv1652304282219522D 29 31 0 0 1 0 999 V2000 1.6242 -2.5687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4492 -2.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9341 -3.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7041 -1.7840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0367 -1.2991 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3693 -1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0367 -0.4741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7512 -0.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7512 0.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4656 1.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1801 0.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1801 -0.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4656 -0.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8946 1.1759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6091 0.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4656 2.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1801 2.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3222 -0.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4888 -1.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1019 -2.0811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8865 -1.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4996 -2.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3281 -3.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5434 -3.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9303 -2.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3719 -4.2471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5873 -4.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9411 -3.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7258 -3.4823 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 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 8 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 10 16 1 0 0 0 0 16 17 1 0 0 0 0 7 18 1 1 0 0 0 4 19 1 1 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 20 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 23 28 1 0 0 0 0 28 29 1 0 0 0 0 M END > NP0072521 > NP-MRD > COC1=CC=C(C[C@@H]2[C@H](COC2=O)[C@@H](O)C2=CC(OC)=C(OC)C=C2)C=C1OC > InChI=1S/C22H26O7/c1-25-17-7-5-13(10-19(17)27-3)9-15-16(12-29-22(15)24)21(23)14-6-8-18(26-2)20(11-14)28-4/h5-8,10-11,15-16,21,23H,9,12H2,1-4H3/t15-,16+,21+/m1/s1 > MWTKKKPTALSSLI-XFQAVAEZSA-N > C22H26O7 > 402.443 > 402.167853177 > 6 > 55 > 41.786906027372225 > 1 > 1 > 0 > 1 > (3R,4R)-4-[(R)-(3,4-dimethoxyphenyl)(hydroxy)methyl]-3-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one > 3.18 > 2.394316283 > -4.59 > 1 > 3 > 0 > 14.078883694497616 > -3.201696272026741 > 83.45000000000002 > 106.01570000000001 > 8 > 1 > 1.04e-02 g/l > (3R,4R)-4-[(R)-(3,4-dimethoxyphenyl)(hydroxy)methyl]-3-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one > 0 > NP0072521 > Tupichilignan A $$$$