Mrv2104 03072316202D 27 30 0 0 1 0 999 V2000 -0.4738 -1.3509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2878 -1.0338 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0537 -1.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2971 -1.5996 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4844 -2.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4005 -2.0401 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0400 -2.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 -1.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 -2.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0653 -3.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -0.6699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8843 0.1133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0786 0.0599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1815 0.5958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3249 1.2471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9977 0.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 0.2580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8354 1.0557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4747 0.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1386 1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1549 0.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0633 -0.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8036 -0.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9872 -1.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2754 -0.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3884 -0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2082 -0.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 4 3 1 0 0 0 0 4 5 1 1 0 0 0 4 6 1 6 0 0 0 6 7 1 0 0 0 0 6 8 1 6 0 0 0 6 9 1 1 0 0 0 9 10 2 0 0 0 0 4 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 14 13 1 0 0 0 0 14 15 1 1 0 0 0 14 16 1 0 0 0 0 17 16 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 2 25 1 0 0 0 0 17 25 1 0 0 0 0 11 25 1 0 0 0 0 14 26 1 0 0 0 0 2 26 1 0 0 0 0 26 27 2 0 0 0 0 M END > NP0333471 > NP-MRD > [H][C@@]12C[C@@]([H])([C@@]3([H])O[C@]([H])(C[C@]4([H])C13CCCC4(C)C)C2=C)[C@](C)(O)C=C > InChI=1S/C20H30O2/c1-6-19(5,21)14-10-13-12(2)15-11-16-18(3,4)8-7-9-20(13,16)17(14)22-15/h6,13-17,21H,1-2,7-11H2,3-5H3/t13-,14-,15?,16-,17+,19+,20?/m0/s1 > UAMRYWUPKILLHN-WBLHASIASA-N > C20H30O2 > 302.458 > 302.224580206 > 2 > 52 > 0.0 > 1 > 1 > 0 > 1 > (2R)-2-[(1S,7S,9R,11R,12S)-6,6-dimethyl-14-methylidene-10-oxatetracyclo[7.4.1.0^{2,7}.0^{2,11}]tetradecan-12-yl]but-3-en-2-ol > 3.502736026999999 > 0 > 4 > 0 > 14.350035181041358 > -3.08309461181251 > 29.46 > 88.56880000000001 > 2 > 1 > (2R)-2-[(1S,7S,9R,11R,12S)-6,6-dimethyl-14-methylidene-10-oxatetracyclo[7.4.1.0^{2,7}.0^{2,11}]tetradecan-12-yl]but-3-en-2-ol > 1 > NP0333471 > atralabdan A $$$$