Mrv1652309112219082D 35 40 0 0 1 0 999 V2000 4.5914 3.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8706 3.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1626 3.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1755 2.3514 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0076 2.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6521 2.0006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4414 2.2403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0438 1.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4223 1.1421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5971 0.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8102 1.0121 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2751 1.5505 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9465 0.8591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8381 0.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4922 -0.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2547 -0.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3838 -1.2794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9859 1.4064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1336 0.5627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9276 0.3389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1309 -0.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5811 -0.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 0.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5615 1.0150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2187 0.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3764 -0.0630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -0.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2277 1.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6951 2.5190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3487 3.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4729 3.3423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6423 2.3950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2280 2.5637 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2096 2.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 1.3371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 7 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 1 0 0 0 11 10 1 1 0 0 0 12 11 1 1 0 0 0 4 12 1 0 0 0 0 12 13 1 0 0 0 0 9 13 1 0 0 0 0 13 14 1 6 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 18 11 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 6 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 24 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 32 29 1 6 0 0 0 18 32 1 0 0 0 0 32 33 1 0 0 0 0 4 33 1 0 0 0 0 33 34 1 6 0 0 0 35 34 1 1 0 0 0 24 35 1 0 0 0 0 18 35 1 0 0 0 0 M END > NP0317317 > NP-MRD > CCO[C@]12C[C@H](OC)[C@H]3C[C@H]([C@@H]1[C@H]3OC(C)=O)[C@]13[C@@H]4C[C@H]2[C@H]1N(CC)C[C@]4(COC)CC[C@@H]3OC > InChI=1S/C28H45NO6/c1-7-29-14-26(15-31-4)10-9-22(33-6)28-18-11-17-20(32-5)13-27(34-8-2,19(25(28)29)12-21(26)28)23(18)24(17)35-16(3)30/h17-25H,7-15H2,1-6H3/t17-,18-,19+,20+,21-,22+,23-,24+,25-,26+,27+,28-/m1/s1 > MBNBAHNWJUHSQR-GQIRAUAMSA-N > C28H45NO6 > 491.669 > 491.324688173 > 6 > 80 > 56.056541094981355 > 1 > 0 > 0 > 0 > (1S,2R,3R,4S,5R,6S,8S,9S,10R,13S,16S,17R)-8-ethoxy-11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-yl acetate > 1.170960961 > 1 > 6 > 1 > 10.552818797832275 > 66.46000000000001 > 131.68869999999998 > 9 > 1 > (1S,2R,3R,4S,5R,6S,8S,9S,10R,13S,16S,17R)-8-ethoxy-11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-yl acetate > 0 > NP0317317 > (1s,2r,3r,4s,5r,6s,8s,9s,10r,13s,16s,17r)-8-ethoxy-11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl acetate $$$$