Mrv1652306192118573D 63 67 0 0 0 0 999 V2000 -1.2395 2.7505 -4.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9797 1.8476 -3.6619 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2953 1.4853 -4.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1612 2.0318 -5.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2999 1.2540 -5.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1886 0.2628 -4.1236 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9659 0.4156 -3.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5383 -0.5095 -2.4967 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9951 -0.4090 -2.3266 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5199 1.0984 -2.3730 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0064 1.2092 -2.1550 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5657 0.4164 -0.9612 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1710 1.0476 0.2697 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9338 2.0969 0.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9080 2.5377 0.0843 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4216 2.6705 1.9471 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5889 2.0570 2.6988 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0294 2.6388 3.8902 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4628 3.8318 4.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5465 4.4459 3.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9891 3.8672 2.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 -1.0794 -1.0231 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5421 -1.5716 -2.3376 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8769 -2.0439 0.0075 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4056 -2.1143 -0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -1.6573 1.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3379 -3.4917 -0.1657 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1819 -3.5911 -0.1330 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8338 -2.7043 -1.1906 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4563 -1.1988 -1.0526 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1828 -0.6538 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6063 3.2370 -5.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2445 3.0454 -4.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9936 2.8838 -5.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2295 1.2729 -5.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0673 -0.2255 -1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8307 -1.5325 -2.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5701 -0.8888 -3.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0049 1.6283 -1.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2626 2.2663 -2.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 0.8786 -3.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6582 0.4528 -1.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 1.1238 2.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8146 2.1601 4.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8073 4.2829 5.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9898 5.3751 3.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7787 4.3548 1.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4487 -1.2709 -2.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8859 -1.1380 -0.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9088 -2.8031 0.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6201 -2.4839 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1994 -1.7438 1.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1772 -0.6514 1.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -2.3309 2.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6861 -3.9060 -1.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7534 -4.1469 0.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5601 -3.3413 0.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -4.6326 -0.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9199 -2.8391 -1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5488 -3.0740 -2.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7743 -1.0223 1.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2341 -0.9625 0.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1827 0.4362 0.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 10 39 1 1 0 0 0 22 12 1 0 0 0 0 9 38 1 6 0 0 0 12 11 1 0 0 0 0 24 25 1 6 0 0 0 11 10 1 0 0 0 0 24 26 1 0 0 0 0 7 3 2 0 0 0 0 9 8 1 0 0 0 0 10 2 1 0 0 0 0 27 24 1 0 0 0 0 24 22 1 0 0 0 0 30 29 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 2 1 2 3 0 0 0 29 28 1 0 0 0 0 12 13 1 0 0 0 0 30 22 1 0 0 0 0 13 14 1 0 0 0 0 28 27 1 0 0 0 0 14 15 2 0 0 0 0 3 2 1 0 0 0 0 14 16 1 0 0 0 0 30 31 1 1 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 9 10 1 0 0 0 0 18 19 2 0 0 0 0 22 23 1 6 0 0 0 19 20 1 0 0 0 0 30 9 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 12 42 1 6 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 23 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 4 34 1 0 0 0 0 5 35 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 M END > NP0024619 > NP-MRD > [H]O[C@@]12[C@]([H])(OC(=O)C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])[C@@]3([H])C(=C([H])[H])C4=C(OC([H])=C4[H])C([H])([H])[C@]3([H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H] > InChI=1S/C27H32O4/c1-17-19-11-14-30-22(19)16-21-20(17)15-23(31-24(28)18-9-6-5-7-10-18)27(29)25(2,3)12-8-13-26(21,27)4/h5-7,9-11,14,20-21,23,29H,1,8,12-13,15-16H2,2-4H3/t20-,21-,23+,26+,27+/m0/s1 > CAKOAOJDETWCQH-BSMIGITPSA-N > C27H32O4 > 420.549 > 420.23005951 > 2 > 63 > 47.647756023889606 > 1 > 1 > 0 > 0 > (1S,2R,7R,8R,10R)-7-hydroxy-2,6,6-trimethyl-11-methylidene-15-oxatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-12(16),13-dien-8-yl benzoate > 5.37 > 5.7109623376666665 > -4.65 > 0 > 5 > 0 > 13.174199313198653 > -2.785407873096419 > 59.67 > 119.46160000000002 > 3 > 0 > 9.48e-03 g/l > (1S,2R,7R,8R,10R)-7-hydroxy-2,6,6-trimethyl-11-methylidene-15-oxatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-12(16),13-dien-8-yl benzoate > 0 > NP0024619 > Isovouacapenol A $$$$