Mrv1652309022221252D 27 28 0 0 1 0 999 V2000 4.0530 -2.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1001 -1.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4614 -1.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6635 -1.2131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7607 -0.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5844 -0.2817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1705 0.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9663 0.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1761 -0.7163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5525 0.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3483 0.4448 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9345 1.0254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7247 1.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9289 2.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3109 2.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5581 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3539 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9401 0.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5637 -1.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9775 -1.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1817 -1.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5955 -2.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8053 -3.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7997 -2.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5899 -1.2969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4054 -1.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7941 -1.0796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1 2 2 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 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 11 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 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 25 26 1 1 0 0 0 25 27 1 0 0 0 0 27 2 1 6 0 0 0 6 27 1 0 0 0 0 M END > NP0161289 > NP-MRD > CC(=O)O[C@H]1C\C(C)=C\[C@@H]2OC(=O)C(=C)[C@H]2[C@@H](O)C\C(C)=C\CC\C(C)=C\1 > InChI=1S/C22H30O5/c1-13-7-6-8-14(2)11-19(24)21-16(4)22(25)27-20(21)12-15(3)10-18(9-13)26-17(5)23/h8-9,12,18-21,24H,4,6-7,10-11H2,1-3,5H3/b13-9+,14-8+,15-12+/t18-,19+,20+,21+/m1/s1 > ZDQJJRBIBRHMDH-HPSRFADGSA-N > C22H30O5 > 374.477 > 374.209324066 > 3 > 57 > 40.69148123172153 > 1 > 1 > 0 > 1 > (3aS,4S,12S,15aS)-4-hydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,12H,13H,15aH-cyclotetradeca[b]furan-12-yl acetate > 3.26 > 3.3410334649999998 > -4.16 > 0 > 2 > 0 > 14.703903540525648 > -2.9283125913740786 > 72.83 > 105.98670000000001 > 2 > 1 > 2.61e-02 g/l > (3aS,4S,12S,15aS)-4-hydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,12H,13H,15aH-cyclotetradeca[b]furan-12-yl acetate > 0 > NP0161289 > (3as,4s,12s,15as)-4-hydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,12h,13h,15ah-cyclotetradeca[b]furan-12-yl acetate $$$$