Mrv1652309122216472D 30 32 0 0 1 0 999 V2000 9.3235 -1.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4985 -1.0568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0860 -0.3423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2610 -0.3423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8485 0.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0235 0.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6110 1.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7860 1.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3735 0.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3735 1.8011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5485 1.8011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1906 1.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3863 0.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2027 0.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7413 1.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9566 1.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4717 1.8011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9566 2.4686 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7017 3.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7413 2.2136 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3863 2.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1906 2.5444 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7050 3.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2193 3.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0600 3.7038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2610 1.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0860 1.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4985 0.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3235 0.3722 0.0000 O 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 10 1 1 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 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 20 15 1 6 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 11 22 1 0 0 0 0 22 23 1 6 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 5 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 3 29 1 0 0 0 0 29 30 1 0 0 0 0 M END > NP0329927 > NP-MRD > COC1=CC(\C=C\C(=O)O[C@H]2CC(C)=C3CC[C@H](C)[C@@H]3C[C@@H]2C(C)(C)O)=CC=C1O > InChI=1S/C25H34O5/c1-15-6-9-18-16(2)12-22(20(14-19(15)18)25(3,4)28)30-24(27)11-8-17-7-10-21(26)23(13-17)29-5/h7-8,10-11,13,15,19-20,22,26,28H,6,9,12,14H2,1-5H3/b11-8+/t15-,19-,20-,22-/m0/s1 > UJHQSMHJLBMXAL-UYVCMBBFSA-N > C25H34O5 > 414.542 > 414.240624195 > 4 > 64 > 47.018600577805614 > 1 > 2 > 0 > 1 > (3S,3aS,5S,6S)-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulen-6-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate > 4.6446007300000005 > 1 > 3 > 0 > 14.98452616303225 > 9.867756979290434 > -2.8055697080632607 > 75.99000000000001 > 118.82339999999999 > 6 > 1 > (1S,6S,7S,8aS)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-1,2,3,5,6,7,8,8a-octahydroazulen-6-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate > 0 > NP0329927 > (1s,6s,7s,8as)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-1,2,3,5,6,7,8,8a-octahydroazulen-6-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate $$$$