Mrv1652304292206032D 33 37 0 0 1 0 999 V2000 4.0480 1.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7677 0.7029 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2995 0.0722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1116 0.2174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3919 0.9934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8601 1.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2165 0.9666 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4458 0.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7629 -0.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7228 1.6179 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4119 2.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5401 1.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0464 2.1564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8637 2.0435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3700 2.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1873 2.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0591 3.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1745 1.2793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6682 0.6280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7355 2.9205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7518 1.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9139 -0.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0192 -0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2071 -0.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6752 -0.2182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9555 0.5577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4237 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6116 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3313 0.2673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8631 -0.3634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5828 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5192 0.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2358 1.3336 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 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 4 9 1 0 0 0 0 7 10 1 1 0 0 0 10 11 1 6 0 0 0 10 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 2 0 0 0 0 15 17 1 0 0 0 0 14 18 1 6 0 0 0 18 19 1 0 0 0 0 13 20 1 6 0 0 0 5 21 1 1 0 0 0 4 22 1 6 0 0 0 3 23 1 6 0 0 0 23 24 1 0 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 2 26 1 0 0 0 0 26 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 25 30 1 0 0 0 0 30 31 1 6 0 0 0 29 32 1 1 0 0 0 26 33 1 1 0 0 0 2 33 1 1 0 0 0 M END > NP0083005 > NP-MRD > C[C@H](C[C@H](O)[C@@H](OO)C(C)=C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]44C[C@@]34CC[C@]12C > InChI=1S/C29H48O4/c1-17(2)25(33-32)23(31)15-18(3)20-9-11-27(6)24-8-7-21-19(4)22(30)10-12-28(21)16-29(24,28)14-13-26(20,27)5/h18-25,30-32H,1,7-16H2,2-6H3/t18-,19+,20-,21+,22+,23+,24+,25+,26-,27+,28-,29+/m1/s1 > BEXKXFSUDVVSFA-FXHSUKLQSA-N > C29H48O4 > 460.699 > 460.355260026 > 4 > 81 > 55.31935856036856 > 1 > 3 > 0 > 0 > (1S,3R,6S,7S,8S,11S,12S,15R,16R)-15-[(2R,4S,5S)-5-hydroperoxy-4-hydroxy-6-methylhept-6-en-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-6-ol > 4.54 > 5.371215903 > -5.31 > 1 > 5 > 0 > 14.467056589166397 > 11.69836170719914 > -1.0961423788057658 > 69.92 > 130.78979999999999 > 6 > 0 > 2.28e-03 g/l > (1S,3R,6S,7S,8S,11S,12S,15R,16R)-15-[(2R,4S,5S)-5-hydroperoxy-4-hydroxy-6-methylhept-6-en-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-6-ol > 0 > NP0083005 > (+)-Argenteanol B $$$$