Mrv1652304292204432D 38 43 0 0 1 0 999 V2000 6.1708 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3587 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8269 0.2673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1072 1.0432 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9193 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4511 0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2632 0.7029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5311 1.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8025 2.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5754 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7633 1.5287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4830 0.7528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0148 0.1221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7345 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9224 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3905 -0.1684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6708 0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0195 1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3367 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -0.1416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0596 -0.7929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2889 -1.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6061 -2.0484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0452 -1.5420 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2351 -0.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8377 -1.7713 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6609 -1.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8585 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2012 -1.0307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4153 -1.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7495 -2.5916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0307 -0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 1.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2314 2.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5117 2.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9799 3.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3239 3.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5466 -0.5086 0.0000 C 0 0 0 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 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 6 7 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 4 10 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 3 13 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 16 20 1 0 0 0 0 20 21 1 6 0 0 0 21 22 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 21 25 1 0 0 0 0 24 26 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 26 29 1 1 0 0 0 27 30 1 0 0 0 0 26 31 1 1 0 0 0 16 32 1 6 0 0 0 12 33 1 1 0 0 0 11 34 1 6 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 3 38 1 1 0 0 0 M END > NP0081679 > NP-MRD > CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC=C3[C@]12C)[C@H]1CO[C@H](C1)[C@@]1(O)OC1(C)C > InChI=1S/C32H46O6/c1-18(33)37-25-16-23-27(2,3)24(34)12-14-30(23,7)22-11-13-29(6)20(9-10-21(29)31(22,25)8)19-15-26(36-17-19)32(35)28(4,5)38-32/h10,12,14,19-20,22-23,25-26,35H,9,11,13,15-17H2,1-8H3/t19-,20+,22-,23+,25-,26-,29+,30-,31+,32-/m1/s1 > VAHZUXRWDAYHCB-OPUCZGIASA-N > C32H46O6 > 526.714 > 526.329439201 > 5 > 84 > 59.36134426401124 > 0 > 1 > 0 > 0 > (1R,2R,7R,9R,10R,14S,15S)-14-[(3S,5R)-5-[(2R)-2-hydroxy-3,3-dimethyloxiran-2-yl]oxolan-3-yl]-2,6,6,10,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,11-dien-9-yl acetate > 5.52 > 5.0816516830000005 > -5.93 > 0 > 6 > 0 > 10.306171852315929 > -3.958426011208806 > 85.36000000000001 > 145.75720000000004 > 4 > 0 > 6.15e-04 g/l > (1R,2R,7R,9R,10R,14S,15S)-14-[(3S,5R)-5-[(2R)-2-hydroxy-3,3-dimethyloxiran-2-yl]oxolan-3-yl]-2,6,6,10,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,11-dien-9-yl acetate > 0 > NP0081679 > Protoxylocarpin H $$$$