Mrv2104 05272302242D 31 34 0 0 0 0 999 V2000 -0.7071 -2.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1102 -2.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6165 -2.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4211 -3.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2383 -3.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7447 -3.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5619 -3.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8728 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0683 -2.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8390 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5218 -1.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1731 -1.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9853 -1.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2655 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0777 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6095 -1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4216 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7019 -0.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1701 0.2471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5140 -0.2384 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9534 -1.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7655 -1.6450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6731 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8610 -2.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0489 -2.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5171 -2.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2368 -3.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4247 -3.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 -2.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 -3.2587 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 2 4 2 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 14 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 18 20 1 0 0 0 0 17 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 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 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 12 30 1 0 0 0 0 9 30 1 0 0 0 0 13 27 2 0 0 0 0 16 25 1 0 0 0 0 M CHG 1 20 -1 M END > NP0339853 > NP-MRD > CC(CCC=C(C)C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)C(C1CC3)C([O-])=O > InChI=1/C28H44O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h7,18,20-21,23-25,29H,6,8-16H2,1-5H3,(H,30,31)/p-1 > JHIWIFRQJXLNEU-UHFFFAOYNA-M > C28H43O3 > 427.65 > 427.321768825 > 3 > 74 > 52.21540856790117 > 1 > 1 > -1 > 0 > 7-hydroxy-9a,11a-dimethyl-1-(6-methylhept-5-en-2-yl)-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthrene-6-carboxylate > 6.042303698000001 > 0 > 4 > -1 > 14.95987356799279 > 4.599002345072687 > -2.9369127811123397 > 60.36 > 138.12290000000002 > 5 > 0 > 7-hydroxy-9a,11a-dimethyl-1-(6-methylhept-5-en-2-yl)-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,10H,11H-cyclopenta[a]phenanthrene-6-carboxylate > 0 > NP0339853 > 4α-carboxy-5α-cholesta-8,24-dien-3β-ol $$$$