Mrv1652304282218042D 31 36 0 0 1 0 999 V2000 4.8862 1.0212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6530 0.7168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3000 1.2287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0668 0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1866 0.1082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5397 -0.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7729 -0.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9535 -0.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1802 2.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8271 2.5569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4133 2.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7664 1.8374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9530 1.9757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5702 1.2449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1469 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7459 1.2110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3044 1.9080 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6873 2.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5116 2.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4801 1.8741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0973 1.1433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5388 0.4464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3631 0.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1559 -0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3316 -0.3183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1098 0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 1.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0512 -1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4175 2.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7631 2.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0061 0.2049 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 1 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 5 8 1 1 0 0 0 3 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 11 1 6 0 0 0 1 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 1 0 0 0 1 15 1 1 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 1 0 0 0 18 19 1 0 0 0 0 13 19 1 1 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 0 0 0 0 16 23 1 6 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 21 27 1 0 0 0 0 25 28 1 6 0 0 0 20 29 1 6 0 0 0 20 30 1 1 0 0 0 2 31 1 1 0 0 0 M END > NP0070638 > NP-MRD > C[C@@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O > InChI=1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/t15-,16+,17-,18-,19+,20+,21+,22+,23-,25+,26-,27+/m1/s1 > IQDIERHFZVCNRZ-JQPZYHRRSA-N > C27H43NO3 > 429.645 > 429.324294249 > 4 > 74 > 51.30437132228464 > 1 > 2 > 0 > 0 > (1R,2S,6R,9S,10S,11S,14S,15S,18S,20S,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0^{2,11}.0^{4,9}.0^{15,24}.0^{18,23}]pentacosan-17-one > 3.32 > 3.2205300113333335 > -4.16 > 0 > 6 > 1 > 15.27246015207231 > 14.159263398761237 > 9.858593282801106 > 60.769999999999996 > 122.45849999999999 > 0 > 1 > 2.96e-02 g/l > (1R,2S,6R,9S,10S,11S,14S,15S,18S,20S,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0^{2,11}.0^{4,9}.0^{15,24}.0^{18,23}]pentacosan-17-one > 0 > NP0070638 > Zhebeinone $$$$