Mrv1533004191519312D 31 34 0 0 0 0 999 V2000 -2.6962 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0071 -0.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8244 -0.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3307 -0.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1480 -0.3044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0198 0.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5008 -1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7301 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0473 -2.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3959 -2.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1983 -2.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5838 -2.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3035 -3.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8353 -3.6824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5086 -3.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0404 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7601 -1.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1041 -1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3844 -2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1965 -2.2259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8526 -2.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4643 -3.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7358 -3.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -1.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3323 -0.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1444 -0.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6762 -1.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0361 -0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4798 -1.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1995 -0.2384 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 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 2 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 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 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 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 16 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 17 25 1 0 0 0 0 12 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 7 28 1 0 0 0 0 10 28 1 0 0 0 0 28 29 1 0 0 0 0 25 30 1 0 0 0 0 30 31 2 0 0 0 0 M END > NP0263350 > NP-MRD > CC(CC(C)=O)C1CCC2(C)C3C(=O)C=C4C(CCC(O)C4(C)C)C3(CCC12C)C=O > InChI=1S/C27H40O4/c1-16(13-17(2)29)18-9-10-26(6)23-21(30)14-20-19(7-8-22(31)24(20,3)4)27(23,15-28)12-11-25(18,26)5/h14-16,18-19,22-23,31H,7-13H2,1-6H3 > NBODFSYIUFTBQG-UHFFFAOYSA-N > C27H40O4 > 428.613 > 428.292659768 > 4 > 71 > 49.05087689006627 > 1 > 1 > 0 > 0 > 5-hydroxy-6,6,11,15-tetramethyl-9-oxo-14-(4-oxopentan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-1-carbaldehyde > 3.91 > 4.014139443 > -4.95 > 0 > 4 > 0 > 19.476137785132774 > 16.237109318212752 > -0.8409219338354651 > 71.44 > 122.26199999999997 > 4 > 1 > 4.80e-03 g/l > 5-hydroxy-6,6,11,15-tetramethyl-9-oxo-14-(4-oxopentan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-1-carbaldehyde > 0 > NP0263350 > 7-hydroxy-3a,6,6,11a-tetramethyl-4-oxo-1-(4-oxopentan-2-yl)-1h,2h,3h,3bh,7h,8h,9h,9ah,10h,11h-cyclopenta[a]phenanthrene-9b-carbaldehyde $$$$