Mrv1533004251511422D 37 40 0 0 0 0 999 V2000 1.2558 4.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6431 3.8624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4676 3.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9048 4.5332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8549 3.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6794 3.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1166 3.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3517 4.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2882 4.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9411 3.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3783 4.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3284 3.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 2.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0092 1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 0.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -0.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8371 0.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3829 3.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3687 -0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 -1.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0992 -1.0091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0992 -0.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5683 0.3009 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 2 0 0 0 0 3 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 7 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 6 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 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 2 0 0 0 0 19 21 1 0 0 0 0 17 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 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 24 29 1 0 0 0 0 29 30 1 0 0 0 0 16 30 1 0 0 0 0 30 31 2 0 0 0 0 26 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 32 36 1 0 0 0 0 36 37 2 0 0 0 0 M END > NP0235766 > NP-MRD > COC(=O)CC1C(C)(C)C(=O)C=CC1(C)C1C(OC(C)=O)C(O)C2(C)C(CC=C2C1=C)C1=CCOC1=O > InChI=1S/C29H36O8/c1-15-18-8-9-19(17-11-13-36-26(17)34)29(18,6)25(33)24(37-16(2)30)23(15)28(5)12-10-21(31)27(3,4)20(28)14-22(32)35-7/h8,10-12,19-20,23-25,33H,1,9,13-14H2,2-7H3 > STNAPRSONZCDSL-UHFFFAOYSA-N > C29H36O8 > 512.599 > 512.241018119 > 5 > 73 > 53.26355274874067 > 1 > 1 > 0 > 0 > methyl 2-{2-[6-(acetyloxy)-7-hydroxy-7a-methyl-4-methylidene-1-(2-oxo-2,5-dihydrofuran-3-yl)-2,4,5,6,7,7a-hexahydro-1H-inden-5-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl}acetate > 2.55 > 2.7993007440000004 > -5.05 > 1 > 4 > 0 > 13.810693237195743 > 13.16860116280121 > -3.401421678451774 > 116.20000000000002 > 136.82200000000003 > 7 > 0 > 4.53e-03 g/l > methyl 2-{2-[6-(acetyloxy)-7-hydroxy-7a-methyl-4-methylidene-1-(2-oxo-5H-furan-3-yl)-2,5,6,7-tetrahydro-1H-inden-5-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl}acetate > 0 > NP0235766 > methyl 2-{2-[6-(acetyloxy)-7-hydroxy-7a-methyl-4-methylidene-1-(2-oxo-5h-furan-3-yl)-2,5,6,7-tetrahydro-1h-inden-5-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl}acetate $$$$