Mrv1652309032217572D 34 39 0 0 1 0 999 V2000 -1.2337 1.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4432 0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2069 -0.0868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6538 -0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2911 -1.6016 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1287 -1.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6165 -2.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4389 -2.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -2.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7469 -2.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2722 -2.0163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7718 -2.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7564 -3.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0612 -1.1556 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7487 -0.1786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3250 0.0210 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3169 -0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4081 -1.2240 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2326 -0.2113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2545 0.6772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0465 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6656 -0.5916 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5144 -0.3861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9430 0.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3907 -1.4376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5718 -2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8442 -1.5820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7319 -2.3818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3162 -1.0433 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9615 -1.7836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7382 -2.2918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6011 -2.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0129 -1.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0142 -3.0050 0.0000 O 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 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 12 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 1 0 0 0 15 3 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 6 0 0 0 18 17 1 1 0 0 0 5 18 1 0 0 0 0 14 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 6 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 6 0 0 0 23 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 1 1 0 0 0 26 27 1 0 0 0 0 14 27 1 0 0 0 0 27 28 1 6 0 0 0 29 27 1 1 0 0 0 19 29 1 0 0 0 0 29 30 1 0 0 0 0 25 30 1 0 0 0 0 30 31 1 6 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 M END > NP0178031 > NP-MRD > CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@]4(O)[C@@H]1[C@H]2OC(C)=O > InChI=1S/C26H41NO7/c1-6-27-12-23(13-31-3)8-7-19(33-5)26-18(23)9-16(22(26)27)24(29)11-17(32-4)15-10-25(26,30)21(24)20(15)34-14(2)28/h15-22,29-30H,6-13H2,1-5H3/t15-,16+,17+,18-,19+,20+,21-,22-,23+,24+,25+,26+/m1/s1 > DQWZPBYYWNEBTG-QKBHHRRESA-N > C26H41NO7 > 479.614 > 479.288302664 > 7 > 75 > 52.602212635008506 > 1 > 2 > 0 > 0 > (1R,2S,3R,4S,5R,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-2,8-dihydroxy-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 > -0.727194111333334 > 1 > 6 > 1 > 14.358236128271294 > 13.637818864514141 > 9.863424663937941 > 97.69000000000003 > 123.35619999999996 > 7 > 1 > (1R,2S,3R,4S,5R,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-2,8-dihydroxy-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 > NP0178031 > (1r,2s,3r,4s,5r,6s,8s,9s,10r,13s,16s,17r)-11-ethyl-2,8-dihydroxy-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl acetate $$$$