Mrv1533004241514582D 38 44 0 0 0 0 999 V2000 5.7050 -1.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3275 -0.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7740 0.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3964 0.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5724 0.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1259 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5034 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3018 0.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9243 1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1003 1.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4881 0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7014 0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 0.0895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7197 0.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7481 1.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4565 0.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0161 -0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -0.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0117 0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6614 -0.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5696 1.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 1.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 2.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8905 1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7227 1.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2797 2.5057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1692 2.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7916 3.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9932 2.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4397 3.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3708 1.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1948 1.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9147 2.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2587 0.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8264 -0.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5918 -1.0381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6287 -0.0549 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 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 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 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 12 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 12 24 1 0 0 0 0 24 25 1 0 0 0 0 10 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 9 31 1 0 0 0 0 31 32 1 0 0 0 0 5 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 16 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 M END > NP0194888 > NP-MRD > CC1CCC2N(C1)CC1C3CC45OC6(O)C(CCC4C3(O)C(O)C(O)C1C2(C)O)C5(C)CCC6OC(C)=O > InChI=1S/C29H45NO8/c1-14-5-8-20-26(4,34)22-16(13-30(20)12-14)17-11-27-19(28(17,35)24(33)23(22)32)7-6-18-25(27,3)10-9-21(37-15(2)31)29(18,36)38-27/h14,16-24,32-36H,5-13H2,1-4H3 > IGDRXLIXNAWBBF-UHFFFAOYSA-N > C29H45NO8 > 535.678 > 535.314517413 > 8 > 83 > 59.00176009485335 > 1 > 5 > 0 > 0 > 10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl acetate > 1.01 > 0.060331595666666876 > -2.55 > 0 > 7 > 1 > 12.778755031338527 > 10.885848412511619 > 7.971231710608962 > 139.92000000000002 > 135.8212 > 2 > 0 > 1.51e+00 g/l > 10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl acetate > 0 > NP0194888 > 10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl acetate $$$$