Mrv1652309122211162D 36 42 0 0 1 0 999 V2000 -1.5581 1.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7469 0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1563 -0.0057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7293 -0.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3826 -1.5068 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1683 -1.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1284 -2.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6816 -2.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1985 -1.9170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6634 -2.8995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0366 -3.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9877 -1.0585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6765 -0.0883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2563 0.1463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2746 1.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0295 1.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5442 0.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1954 -0.0680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0546 0.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6746 -0.5388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5458 -0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0398 0.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3753 -1.3647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5312 -2.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7992 -1.4627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4021 -2.3860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2796 -0.9223 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9194 -1.6708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6875 -2.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2838 -2.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2445 -0.2565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6253 0.1805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4881 0.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9376 0.8270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3182 -1.1495 0.0000 C 0 0 2 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 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 6 0 0 0 10 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 1 0 0 0 13 3 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 17 1 6 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 21 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 0 0 0 0 12 25 1 0 0 0 0 25 26 1 6 0 0 0 27 25 1 1 0 0 0 18 27 1 0 0 0 0 27 28 1 0 0 0 0 23 28 1 0 0 0 0 28 29 1 6 0 0 0 29 30 1 0 0 0 0 14 31 1 0 0 0 0 31 32 1 6 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 36 31 1 1 0 0 0 5 36 1 0 0 0 0 12 36 1 0 0 0 0 M END > NP0327063 > NP-MRD > CCN1C[C@]2(C)CC[C@@H](OC)[C@]34[C@@H]2[C@H](OC(C)=O)[C@@]2(OCO[C@@]22C[C@H](OC)[C@H]5C[C@]3(O)[C@@H]2[C@H]5OC)[C@@H]14 > InChI=1S/C27H41NO8/c1-7-28-12-23(3)9-8-17(32-5)26-20(23)21(36-14(2)29)27(22(26)28)25(34-13-35-27)11-16(31-4)15-10-24(26,30)19(25)18(15)33-6/h15-22,30H,7-13H2,1-6H3/t15-,16+,17-,18+,19+,20-,21+,22+,23+,24+,25-,26-,27-/m1/s1 > DTTPWCNKTMQMTE-AOXYNMQJSA-N > C27H41NO8 > 507.624 > 507.283217284 > 8 > 77 > 53.77673097796361 > 1 > 1 > 0 > 0 > (1R,2S,3S,4S,5R,6S,8R,12S,13S,16R,19R,20R,21S)-14-ethyl-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1^{2,5}.0^{1,13}.0^{3,8}.0^{8,12}.0^{16,20}]docosan-21-yl acetate > -0.029631667333334222 > 1 > 7 > 1 > 13.841228788497133 > 9.372795885587305 > 95.92000000000002 > 126.45079999999997 > 6 > 0 > (1R,2S,3S,4S,5R,6S,8R,12S,13S,16R,19R,20R,21S)-14-ethyl-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1^{2,5}.0^{1,13}.0^{3,8}.0^{8,12}.0^{16,20}]docosan-21-yl acetate > 0 > NP0327063 > (1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19r,20r,21s)-14-ethyl-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-21-yl acetate $$$$