Mrv1533004231522522D 38 41 0 0 0 0 999 V2000 -3.4914 1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0789 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4914 -0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0789 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6167 -1.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6982 -2.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6039 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2211 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6336 -2.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6336 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 -2.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2211 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6336 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2211 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4586 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 -1.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2783 -1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4586 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 -2.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6039 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 1.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6039 2.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 2.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6039 3.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2211 3.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6336 2.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2211 2.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 21 25 1 0 0 0 0 15 25 1 0 0 0 0 25 26 2 0 0 0 0 17 27 1 0 0 0 0 11 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 5 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 33 38 1 0 0 0 0 M END > NP0330419 > NP-MRD > CC(=O)OC1C(O)C(C)(C)C2CC(O)C3(O)C(C(=O)CC(C)(C=C)C3=O)C2(C)C1OC(=O)C1=CC=CC=C1 > InChI=1S/C29H36O9/c1-7-27(5)14-17(31)21-28(6)18(13-19(32)29(21,36)25(27)35)26(3,4)22(33)20(37-15(2)30)23(28)38-24(34)16-11-9-8-10-12-16/h7-12,18-23,32-33,36H,1,13-14H2,2-6H3 > JUOHHHMQFLSSHX-UHFFFAOYSA-N > C29H36O9 > 528.598 > 528.235932739 > 7 > 74 > 54.42123797213664 > 1 > 3 > 0 > 0 > 3-(acetyloxy)-7-ethenyl-2,8a,9-trihydroxy-1,1,4a,7-tetramethyl-5,8-dioxo-tetradecahydrophenanthren-4-yl benzoate > 2.11 > 2.8358904466666677 > -3.95 > 1 > 4 > 0 > 12.944443010423313 > 10.65679904112748 > -3.326960721587194 > 147.42999999999998 > 134.97349999999997 > 6 > 0 > 5.92e-02 g/l > 3-(acetyloxy)-7-ethenyl-2,8a,9-trihydroxy-1,1,4a,7-tetramethyl-5,8-dioxo-octahydrophenanthren-4-yl benzoate > 0 > NP0330419 > 3-(acetyloxy)-7-ethenyl-2,8a,9-trihydroxy-1,1,4a,7-tetramethyl-5,8-dioxo-octahydrophenanthren-4-yl benzoate $$$$