Mrv1652304282211432D 35 38 0 0 1 0 999 V2000 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 2.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 3.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 3.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 2.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3873 -2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3873 -2.3784 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 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 4 10 1 0 0 0 0 10 11 1 1 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 16 21 1 0 0 0 0 8 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 7 26 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 28 32 1 0 0 0 0 5 33 1 1 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 M END > NP0065507 > NP-MRD > COC(=O)C1=C[C@@H](OC(=O)CCC2=CC=CC=C2)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC1=COC=C1 > InChI=1S/C30H38O5/c1-29(2)16-8-17-30(3)24(13-11-22-15-18-34-20-22)23(28(32)33-4)19-25(27(29)30)35-26(31)14-12-21-9-6-5-7-10-21/h5-7,9-10,15,18-20,24-25,27H,8,11-14,16-17H2,1-4H3/t24-,25+,27-,30+/m0/s1 > PRZOSNLUCGBIOL-WLZBTTNTSA-N > C30H38O5 > 478.629 > 478.271924324 > 2 > 73 > 53.80289414849507 > 1 > 0 > 0 > 0 > methyl (1R,4R,4aS,8aR)-1-[2-(furan-3-yl)ethyl]-5,5,8a-trimethyl-4-[(3-phenylpropanoyl)oxy]-1,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylate > 6.78 > 7.023717027000001 > -5.17 > 1 > 4 > 0 > -2.784145167377313 > 65.74000000000001 > 135.75860000000003 > 10 > 0 > 3.25e-03 g/l > methyl (1R,4R,4aS,8aR)-1-[2-(furan-3-yl)ethyl]-5,5,8a-trimethyl-4-[(3-phenylpropanoyl)oxy]-1,4,4a,6,7,8-hexahydronaphthalene-2-carboxylate > 0 > NP0065507 > Gutierrezianolic acid 3-phenylpropionate methyl ester $$$$