Mrv1533004251503452D 35 39 0 0 0 0 999 V2000 4.7321 -0.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5888 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8136 -1.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4138 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8263 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0638 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0638 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3013 -3.4914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3013 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7138 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4763 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3013 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1263 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9513 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3638 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7763 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3638 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2205 -3.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1263 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2125 -2.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1390 -3.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7710 -2.5288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2823 -3.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8263 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2388 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4138 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5888 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1763 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3513 -2.0625 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 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 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 7 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 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 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 12 25 1 0 0 0 0 18 25 1 0 0 0 0 25 26 1 0 0 0 0 22 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 8 30 1 0 0 0 0 4 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 2 34 1 0 0 0 0 34 35 2 0 0 0 0 M END > NP0330336 > NP-MRD > CC1(C)C2CC=C3C(CC(O)C4(C)C3(C)CCC3(C)CCC(C)(CC43O)C(O)=O)C2(C)CCC1=O > InChI=1S/C30H46O5/c1-24(2)20-9-8-18-19(27(20,5)11-10-21(24)31)16-22(32)29(7)28(18,6)15-14-26(4)13-12-25(3,23(33)34)17-30(26,29)35/h8,19-20,22,32,35H,9-17H2,1-7H3,(H,33,34) > ZOJYWIDATCZFTE-UHFFFAOYSA-N > C30H46O5 > 486.693 > 486.334524581 > 5 > 81 > 55.88881617247023 > 1 > 3 > 0 > 0 > 14,14b-dihydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicene-2-carboxylic acid > 4.84 > 4.924157767000001 > -5.21 > 0 > 5 > -1 > 13.846582197004203 > 4.421253024037992 > -2.984297919888358 > 94.83000000000001 > 135.6918 > 1 > 1 > 2.99e-03 g/l > 14,14b-dihydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-10-oxo-1,3,4,5,6,8,8a,11,12,12b,13,14-dodecahydropicene-2-carboxylic acid > 0 > NP0330336 > 14,14b-dihydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-10-oxo-1,3,4,5,6,8,8a,11,12,12b,13,14-dodecahydropicene-2-carboxylic acid $$$$