Mrv1533004161522102D 34 38 0 0 0 0 999 V2000 4.7855 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0658 0.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8779 0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4097 0.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1294 1.6480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2218 0.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7536 1.3576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4733 2.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0052 2.7642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6612 2.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3809 3.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9127 3.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6324 4.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1643 5.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9764 4.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2567 4.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7249 3.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5021 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0339 0.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3142 -0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3162 0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1271 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5945 -0.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0627 -1.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2506 -1.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9703 -0.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4385 -1.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1582 -0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6264 -1.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8142 -1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1629 -1.5264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4801 -1.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7094 -0.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5339 -0.2441 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 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 10 8 1 4 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 12 17 1 0 0 0 0 6 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 18 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 3 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 2 34 1 0 0 0 0 30 34 2 0 0 0 0 M END > NP0305404 > NP-MRD > CC1C2C(O)C(OC(=O)C=CC3=CC=CC=C3)C3(O)C(C)(C)CCCC3(C)C2CC2=C1C=CO2 > InChI=1S/C29H36O5/c1-18-20-13-16-33-22(20)17-21-24(18)25(31)26(29(32)27(2,3)14-8-15-28(21,29)4)34-23(30)12-11-19-9-6-5-7-10-19/h5-7,9-13,16,18,21,24-26,31-32H,8,14-15,17H2,1-4H3 > IGNZARMTFKDIDD-UHFFFAOYSA-N > C29H36O5 > 464.602 > 464.256274259 > 3 > 70 > 52.35873200593598 > 1 > 2 > 0 > 0 > 7,9-dihydroxy-2,6,6,11-tetramethyl-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-12(16),13-dien-8-yl 3-phenylprop-2-enoate > 4.87 > 5.4615158076666654 > -4.62 > 0 > 5 > 0 > 13.983617846481124 > 13.015471444138768 > -2.745233263730201 > 79.9 > 130.7143 > 4 > 0 > 1.12e-02 g/l > 7,9-dihydroxy-2,6,6,11-tetramethyl-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-12(16),13-dien-8-yl 3-phenylprop-2-enoate > 0 > NP0305404 > 4a,6-dihydroxy-4,4,7,11b-tetramethyl-1h,2h,3h,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-5-yl 3-phenylprop-2-enoate $$$$