Mrv2104 05272302192D 32 35 0 0 0 0 999 V2000 6.9960 -2.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7104 -2.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7104 -3.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4249 -2.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1394 -2.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8538 -2.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5683 -2.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5683 -3.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2828 -2.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3690 -1.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1760 -1.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5885 -1.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0365 -2.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4234 -2.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2914 -3.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0984 -3.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6504 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3955 -1.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9475 -1.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7545 -1.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0094 -2.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8164 -2.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8452 -1.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6334 -2.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9424 -1.6175 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.1413 -3.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0713 -3.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5193 -3.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7123 -3.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4574 -2.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9053 -3.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8783 -3.4534 0.0000 O 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 2 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 7 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 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 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 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 22 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 21 30 1 0 0 0 0 17 30 1 0 0 0 0 27 32 1 0 0 0 0 12 18 1 0 0 0 0 9 13 1 0 0 0 0 M CHG 1 25 -1 M END > NP0339838 > NP-MRD > CC(C)CCCC(C)C1CCC2C3=CCC4C(C)(CCC(O)C4(C)C([O-])=O)C3CCC12C > InChI=1/C29H48O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h10,18-19,21-25,30H,7-9,11-17H2,1-6H3,(H,31,32)/p-1 > UQFZKTIHSICSPG-UHFFFAOYNA-M > C29H47O3 > 443.693 > 443.353068953 > 3 > 79 > 53.50243616804899 > 1 > 1 > -1 > 0 > 7-hydroxy-6,9a,11a-trimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-6-carboxylate > 7.0475553060000005 > 1 > 4 > -1 > 14.716551005351779 > 4.590057947562338 > -3.03779262503915 > 60.36 > 142.0405 > 6 > 0 > 7-hydroxy-6,9a,11a-trimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,5H,5aH,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthrene-6-carboxylate > 0 > NP0339838 > 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate $$$$