Mrv1533004231514192D 36 40 0 0 0 0 999 V2000 5.6506 -4.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5073 -3.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 -3.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1001 -4.1197 0.0000 O 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 3.8136 -3.0591 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 5.8263 -2.0625 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 5.0013 -0.6336 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 7.8888 -1.3480 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 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 11.6013 -2.0625 0.0000 O 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 10.7763 -3.4914 0.0000 O 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 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 -2.7770 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 6.6513 -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 10.7763 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0638 0.0809 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 4.1763 -0.6336 0.0000 O 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 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 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 17 24 1 0 0 0 0 24 25 1 0 0 0 0 14 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 8 29 1 0 0 0 0 13 29 1 0 0 0 0 29 30 1 0 0 0 0 18 31 1 0 0 0 0 12 32 1 0 0 0 0 9 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 5 35 1 0 0 0 0 35 36 1 0 0 0 0 M END > NP0330392 > NP-MRD > COC(=O)C1(C)CC2C(C)(CC(C)=C3C4=CC=C5C(C)=C(O)C(=O)C=C5C4(C)CCC23C)C(O)C1O > InChI=1S/C30H38O6/c1-15-13-29(5)21(14-30(6,26(35)36-7)25(34)24(29)33)28(4)11-10-27(3)18(22(15)28)9-8-17-16(2)23(32)20(31)12-19(17)27/h8-9,12,21,24-25,32-34H,10-11,13-14H2,1-7H3 > APGPWXZLGUDEGW-UHFFFAOYSA-N > C30H38O6 > 494.628 > 494.266838944 > 5 > 74 > 55.37225549521313 > 1 > 3 > 0 > 0 > methyl 3,4,10-trihydroxy-2,4a,6,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,11,12b,13,14,14a,14b-dodecahydropicene-2-carboxylate > 4.65 > 2.864295334666669 > -4.83 > 0 > 5 > 0 > 13.296274276083505 > 9.726542299748242 > -3.3608276948243825 > 104.06 > 140.8951 > 2 > 1 > 7.24e-03 g/l > methyl 3,4,10-trihydroxy-2,4a,6,9,12b,14a-hexamethyl-11-oxo-3,4,5,13,14,14b-hexahydro-1H-picene-2-carboxylate > 0 > NP0330392 > methyl 3,4,10-trihydroxy-2,4a,6,9,12b,14a-hexamethyl-11-oxo-3,4,5,13,14,14b-hexahydro-1h-picene-2-carboxylate $$$$