Mrv2104 05272302282D 33 36 0 0 0 0 999 V2000 -0.9747 -7.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2602 -7.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -7.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1687 -7.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8832 -7.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 -7.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3121 -7.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0658 -7.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3207 -6.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1277 -6.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6798 -6.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4867 -6.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -5.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5486 -5.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1007 -6.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8457 -7.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0388 -7.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7838 -8.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9768 -8.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4248 -7.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6178 -7.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2053 -8.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3984 -8.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3358 -8.6762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9076 -6.1508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8036 -4.9246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9347 -6.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4527 -6.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 -6.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8832 -8.3405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1687 -6.2780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -8.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2602 -6.2780 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 7 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 15 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 7 23 1 0 0 0 0 8 21 1 0 0 0 0 11 20 1 0 0 0 0 18 24 1 0 0 0 0 15 25 1 0 0 0 0 14 26 1 0 0 0 0 12 27 1 0 0 0 0 8 28 1 0 0 0 0 6 29 1 0 0 0 0 5 30 1 0 0 0 0 4 31 1 0 0 0 0 3 32 1 0 0 0 0 2 33 1 0 0 0 0 M END > NP0339866 > NP-MRD > CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(O)C4CC(O)C(O)CC4(C)C3CCC12C > InChI=1/C28H50O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-26,29-33H,7-13H2,1-6H3 > CVXIEYXJQSRIAC-UHFFFAOYNA-N > C28H50O5 > 466.703 > 466.36582471 > 5 > 83 > 55.413912068143574 > 1 > 5 > 0 > 0 > 1-(3,4-dihydroxy-5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-5,7,8-triol > 3.1161045303333332 > 0 > 4 > 0 > 14.014225325384812 > 13.44224004623798 > -2.8343231254862156 > 101.15 > 130.14609999999996 > 5 > 1 > 1-(3,4-dihydroxy-5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-tetradecahydro-1H-cyclopenta[a]phenanthrene-5,7,8-triol > 0 > NP0339866 > 6α-hydroxy-castasterone $$$$