Mrv1533004171501142D 34 36 0 0 0 0 999 V2000 6.3850 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9950 0.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4296 1.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1704 0.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7804 1.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9558 1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5212 0.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1312 1.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9112 -0.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -0.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4608 -0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4002 0.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 1.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6966 0.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8084 1.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8307 -0.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3633 -1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2981 0.0568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2007 -1.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5756 -0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7218 -0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4981 0.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2744 0.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7774 -0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 1.0410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7358 -0.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7388 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4214 -0.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3669 -1.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6267 -1.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5722 -2.7841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9411 -1.5021 0.0000 O 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 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 7 16 1 0 0 0 0 12 16 1 0 0 0 0 16 17 1 0 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 22 21 1 4 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 9 28 1 0 0 0 0 4 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 M END > NP0303622 > NP-MRD > CC(=C)C1CCC2(C)C(CCC3C(CCC23C)C(C)(O)CC=CC(C)(C)O)C1(C)CCC(O)=O > InChI=1S/C30H50O4/c1-20(2)21-12-19-29(7)24(27(21,5)17-14-25(31)32)11-10-22-23(13-18-28(22,29)6)30(8,34)16-9-15-26(3,4)33/h9,15,21-24,33-34H,1,10-14,16-19H2,2-8H3,(H,31,32) > IEKMEVXMHYPYPV-UHFFFAOYSA-N > C30H50O4 > 474.726 > 474.37091009 > 4 > 84 > 57.34685710494861 > 1 > 3 > 0 > 0 > 3-[3-(2,6-dihydroxy-6-methylhept-4-en-2-yl)-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)-dodecahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid > 6.13 > 5.740324140333334 > -5.83 > 1 > 3 > -1 > 17.781260840317277 > 4.966705433001437 > -0.4433441118259457 > 77.76 > 139.44760000000002 > 8 > 0 > 7.02e-04 g/l > 3-[3-(2,6-dihydroxy-6-methylhept-4-en-2-yl)-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid > 0 > NP0303622 > 3-[3-(2,6-dihydroxy-6-methylhept-4-en-2-yl)-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid $$$$