Mrv1652304282217192D 31 36 0 0 1 0 999 V2000 -0.1754 -0.0729 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6553 -0.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3119 -1.5864 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4292 -1.2502 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0890 -1.1897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7860 -0.1874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3590 -0.0366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3281 -0.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3014 -0.2366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3960 -1.0404 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9433 -1.5937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7393 -2.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5508 -1.4461 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7837 -0.5830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1265 -0.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5712 -0.3372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7522 0.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1026 -1.7414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0208 -2.5623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6908 -3.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6089 -3.8646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4427 -2.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2849 0.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3133 0.7871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2784 -2.0443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6990 -2.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0992 -2.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0739 -2.2629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0924 -1.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5196 0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 0.7536 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 1 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 6 1 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 4 8 1 6 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 1 0 0 0 5 11 1 0 0 0 0 11 12 1 1 0 0 0 13 12 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 9 15 1 0 0 0 0 14 16 1 1 0 0 0 16 17 1 0 0 0 0 13 18 1 0 0 0 0 10 18 1 0 0 0 0 18 19 1 1 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 9 23 1 6 0 0 0 7 24 1 1 0 0 0 5 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 3 27 1 0 0 0 0 25 28 1 6 0 0 0 3 29 1 1 0 0 0 1 30 1 0 0 0 0 30 31 1 0 0 0 0 M END > NP0070036 > NP-MRD > CCN1C[C@@]2(C)CC[C@@H](O)[C@]34[C@@H]5C[C@H]6[C@@H](OC(C)=O)[C@@H]5[C@](O)(C[C@H]6OC)[C@](O)(C[C@@H]23)[C@H]14 > InChI=1S/C24H37NO6/c1-5-25-11-21(3)7-6-17(27)24-14-8-13-15(30-4)9-22(28,18(14)19(13)31-12(2)26)23(29,20(24)25)10-16(21)24/h13-20,27-29H,5-11H2,1-4H3/t13-,14-,15-,16+,17-,18-,19-,20+,21-,22-,23+,24+/m1/s1 > UUCODHFMTSSSDN-HKHBTGTDSA-N > C24H37NO6 > 435.561 > 435.262087915 > 6 > 68 > 47.06633911967189 > 1 > 3 > 0 > 0 > (1R,2R,3R,4R,5R,6R,8R,9S,10R,13S,16R,17S)-11-ethyl-8,9,16-trihydroxy-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-yl acetate > 0.55 > -0.6455431900000003 > -2.13 > 0 > 6 > 1 > 14.107624531386076 > 12.879589048276717 > 9.456554548697303 > 99.46000000000001 > 112.15369999999999 > 4 > 1 > 3.22e+00 g/l > (1R,2R,3R,4R,5R,6R,8R,9S,10R,13S,16R,17S)-11-ethyl-8,9,16-trihydroxy-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-yl acetate > 0 > NP0070036 > Leroyine 14-acetate $$$$