Mrv2104 12212312022D 35 37 0 0 1 0 999 V2000 0.7037 -1.4709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9172 -2.2678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0034 -3.0882 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7179 -3.5007 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4324 -3.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1468 -3.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8613 -3.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5758 -3.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7179 -4.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4324 -4.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4324 -5.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7179 -5.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7179 -6.8007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0034 -7.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0034 -5.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -5.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4255 -5.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0034 -4.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6953 -2.6389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2498 -3.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3023 -2.8107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5303 -1.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3149 -1.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0995 -2.2256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1102 -2.0962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2253 -1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3814 -0.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2019 -0.4164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5374 0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8964 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 0.9185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0525 1.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 0.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2596 -0.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 1 0 0 0 4 5 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 4 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 15 18 2 0 0 0 0 9 18 1 0 0 0 0 3 19 1 6 0 0 0 3 20 1 0 0 0 0 20 21 1 0 0 0 0 2 22 1 6 0 0 0 22 23 1 0 0 0 0 23 24 3 0 0 0 0 2 25 1 0 0 0 0 25 21 1 0 0 0 0 25 26 1 1 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 28 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 31 34 1 0 0 0 0 34 35 2 0 0 0 0 26 35 1 0 0 0 0 M END > NP0332273 > NP-MRD > [H][C@]1(CC#N)[C@@H](OC[C@]1([H])[C@H](OCOC)C1=CC=C(OC)C(OC)=C1)C1=CC(OC)=C(OC)C=C1 > InChI=1S/C25H31NO7/c1-27-15-33-25(17-7-9-21(29-3)23(13-17)31-5)19-14-32-24(18(19)10-11-26)16-6-8-20(28-2)22(12-16)30-4/h6-9,12-13,18-19,24-25H,10,14-15H2,1-5H3/t18-,19+,24+,25-/m1/s1 > NFOMCEBQACFSCE-QIMADWELSA-N > C25H31NO7 > 457.523 > 457.210052342 > 8 > 64 > 48.82116775931202 > 1 > 0 > 0 > 1 > 2-[(2R,3R,4R)-2-(3,4-dimethoxyphenyl)-4-[(S)-(3,4-dimethoxyphenyl)(methoxymethoxy)methyl]oxolan-3-yl]acetonitrile > 2.6914936810000007 > 1 > 3 > 0 > -3.669552819910639 > 88.4 > 121.5949 > 11 > 1 > 2-[(2R,3R,4R)-2-(3,4-dimethoxyphenyl)-4-[(S)-(3,4-dimethoxyphenyl)(methoxymethoxy)methyl]oxolan-3-yl]acetonitrile > 0 > NP0332273 > Compound 11 $$$$