Mrv1652309032216372D 27 31 0 0 1 0 999 V2000 -1.9941 0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7376 -0.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9303 -0.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6738 -1.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1335 -1.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6844 -0.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4279 -0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3795 -0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6359 0.7524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -1.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8533 -0.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6748 -0.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0201 0.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1510 -0.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8057 -1.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2819 -2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1035 -2.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4488 -1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9726 -0.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4661 -0.1456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2474 -0.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2366 -1.2356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9842 -1.7071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7544 -2.4994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 -2.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2703 -2.4135 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 6 10 1 0 0 0 0 10 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 12 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 15 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 19 23 1 0 0 0 0 24 16 1 1 0 0 0 10 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 5 27 1 0 0 0 0 M END > NP0176877 > NP-MRD > COC1OC2[C@H](NCCC3=C2C=C(O)C(OC)=C3)C2=C1C1=C(OCO1)C=C2 > InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3/t17-,18?,20?/m1/s1 > YLUOVOKBMSLYGX-PGYGNJIDSA-N > C20H21NO6 > 371.389 > 371.1368874 > 7 > 48 > 39.128076955894755 > 1 > 2 > 0 > 1 > (1R)-11,17-dimethoxy-6,8,12-trioxa-22-azapentacyclo[11.9.0.0^{2,10}.0^{5,9}.0^{14,19}]docosa-2(10),3,5(9),14(19),15,17-hexaen-16-ol > 2.4449210722349957 > 0 > 5 > 1 > 10.088061826817574 > 8.290576153343622 > 78.41000000000001 > 96.1588 > 2 > 1 > (1R)-11,17-dimethoxy-6,8,12-trioxa-22-azapentacyclo[11.9.0.0^{2,10}.0^{5,9}.0^{14,19}]docosa-2(10),3,5(9),14(19),15,17-hexaen-16-ol > 0 > NP0176877 > (1r)-11,17-dimethoxy-6,8,12-trioxa-22-azapentacyclo[11.9.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]docosa-2(10),3,5(9),14(19),15,17-hexaen-16-ol $$$$