Mrv1652309082200562D 35 37 0 0 1 0 999 V2000 6.1196 -2.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3434 -2.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7133 -1.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8596 -1.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2295 -0.5732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6969 -1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7622 0.0568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5995 -0.0406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6601 0.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8963 1.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3637 0.4640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0047 1.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7983 -0.2372 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4083 -0.9642 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8429 -1.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5837 -0.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1491 -0.2887 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3245 -0.3145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4416 -0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 -1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1221 -1.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0465 -2.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5686 -3.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8302 -2.7373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1101 0.3867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9347 0.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3693 1.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3247 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2799 1.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1045 1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 0.4383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6853 1.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1971 -3.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8271 -3.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4208 -3.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 5 7 1 6 0 0 0 8 5 1 6 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 13 11 1 1 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 17 16 1 6 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 18 25 1 0 0 0 0 25 26 1 6 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 17 31 1 0 0 0 0 11 31 1 0 0 0 0 31 32 1 6 0 0 0 2 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 M END > NP0257726 > NP-MRD > CC(C)C(=C)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]21C)C(C)=C > InChI=1S/C31H52O4/c1-19(2)21(5)10-17-31(9,35)23-12-16-30(8)27(23)24(32)18-25-28(6,14-13-26(33)34)22(20(3)4)11-15-29(25,30)7/h19,22-25,27,32,35H,3,5,10-18H2,1-2,4,6-9H3,(H,33,34)/t22-,23-,24+,25+,27-,28-,29+,30+,31-/m0/s1 > UKFGMZVWMCGUMX-GGVPYFKWSA-N > C31H52O4 > 488.753 > 488.386560154 > 4 > 87 > 58.66997042321175 > 1 > 3 > 0 > 0 > 3-[(3S,3aR,4R,5aR,6S,7S,9aR,9bR)-4-hydroxy-3-[(2S)-2-hydroxy-6-methyl-5-methylideneheptan-2-yl]-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)-dodecahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid > 6.048061510333334 > 1 > 3 > -1 > 14.530108800545364 > 4.846312097816336 > -2.8389051995342536 > 77.76 > 142.5675 > 9 > 0 > 3-[(3S,3aR,4R,5aR,6S,7S,9aR,9bR)-4-hydroxy-3-[(2S)-2-hydroxy-6-methyl-5-methylideneheptan-2-yl]-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid > 0 > NP0257726 > 3-[(3s,3ar,4r,5ar,6s,7s,9ar,9br)-4-hydroxy-3-[(2s)-2-hydroxy-6-methyl-5-methylideneheptan-2-yl]-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid $$$$