Mrv1652309042205502D 25 26 0 0 1 0 999 V2000 3.7767 4.8517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5324 4.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6620 4.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9260 3.0041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6826 1.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 0.9355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0164 0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 2.3645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1464 2.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7259 3.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 2.3645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2539 3.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 3.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 2.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0865 1.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3164 2.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3164 0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5175 2.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7834 0.8818 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 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 6 0 0 0 12 15 1 0 0 0 0 15 16 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 6 22 1 0 0 0 0 15 23 1 0 0 0 0 9 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 M END > NP0187644 > NP-MRD > CC(=O)OC\C1=C/C[C@@H]2CC[C@](C)(O)[C@@H](CC\C(C)=C\CC1)C2(C)C > InChI=1S/C22H36O3/c1-16-7-6-8-18(15-25-17(2)23)10-11-19-13-14-22(5,24)20(12-9-16)21(19,3)4/h7,10,19-20,24H,6,8-9,11-15H2,1-5H3/b16-7+,18-10-/t19-,20+,22+/m1/s1 > ONBYNDRDNDICPR-NHUDBVNLSA-N > C22H36O3 > 348.527 > 348.266445019 > 2 > 61 > 40.70741045022153 > 1 > 1 > 0 > 1 > [(1S,3Z,7E,11S,12S)-12-hydroxy-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,7-dien-4-yl]methyl acetate > 4.371816506333333 > 0 > 2 > 0 > -0.4365558184326651 > 46.53 > 104.0858 > 3 > 1 > [(1S,3Z,7E,11S,12S)-12-hydroxy-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,7-dien-4-yl]methyl acetate > 0 > NP0187644 > [(1s,3z,7e,11s,12s)-12-hydroxy-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,7-dien-4-yl]methyl acetate $$$$