Mrv1652309092202292D 26 32 0 0 1 0 999 V2000 4.5946 0.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9068 1.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8952 2.0842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2970 1.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5761 1.5319 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1046 0.8419 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8889 0.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9022 1.1595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5767 0.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8268 0.7192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1236 1.5814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5284 2.2824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3203 2.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6539 1.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0056 0.6411 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3140 -0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 1.1435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2447 1.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3325 1.8242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0616 2.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 3.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 1.9932 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0245 2.1929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5244 2.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4145 2.8538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8362 3.5629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 6 0 0 0 5 4 1 6 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 6 7 1 1 0 0 0 5 8 1 0 0 0 0 8 9 1 1 0 0 0 10 9 1 6 0 0 0 11 10 1 1 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 10 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 12 18 1 6 0 0 0 17 19 1 6 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 22 19 1 6 0 0 0 8 22 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 5 23 1 0 0 0 0 23 24 1 6 0 0 0 24 25 1 0 0 0 0 3 25 1 0 0 0 0 25 26 1 1 0 0 0 M END > NP0276393 > NP-MRD > CCN1[C@@H]2[C@@H]3C[C@H]4[C@]2([C@@H]2C[C@@H](O)[C@@H]5C[C@]32[C@H](O)C5=C)[C@@H]2CC[C@@]4(C)[C@H]1O2 > InChI=1S/C22H31NO3/c1-4-23-17-12-7-14-20(3)6-5-16(26-19(20)23)22(14,17)15-8-13(24)11-9-21(12,15)18(25)10(11)2/h11-19,24-25H,2,4-9H2,1,3H3/t11-,12+,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-/m1/s1 > ULFMQUVPNJZNKM-ZLARSAQISA-N > C22H31NO3 > 357.494 > 357.230393862 > 4 > 57 > 40.02572835241607 > 1 > 2 > 0 > 1 > (1R,2R,4S,5R,8S,10R,12R,13S,14R,16R,17R,19R)-11-ethyl-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.0^{1,14}.0^{2,12}.0^{4,13}.0^{5,10}.0^{8,13}]icosane-16,19-diol > 1.328365917666667 > 0 > 7 > 0 > 14.949539049799974 > 14.055669081180369 > 6.354214423995713 > 52.93000000000001 > 97.20839999999997 > 1 > 1 > (1R,2R,4S,5R,8S,10R,12R,13S,14R,16R,17R,19R)-11-ethyl-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.0^{1,14}.0^{2,12}.0^{4,13}.0^{5,10}.0^{8,13}]icosane-16,19-diol > 0 > NP0276393 > (1r,2r,4s,5r,8s,10r,12r,13s,14r,16r,17r,19r)-11-ethyl-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.0¹,¹⁴.0²,¹².0⁴,¹³.0⁵,¹⁰.0⁸,¹³]icosane-16,19-diol $$$$