Ketcher 09231800542D 1 1.00000 0.00000 0 30 31 0 1 0 999 V2000 6.7957 -7.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9288 -7.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -8.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6627 -7.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0577 -7.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6543 -9.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9288 -9.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6668 -6.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5295 -7.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0577 -8.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5253 -8.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7832 -6.4530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3866 -7.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5533 -5.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5558 -4.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5593 -2.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6905 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -4.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8170 -2.5344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2732 -4.1825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5593 -1.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4272 -1.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6915 -1.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9297 -6.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0620 -5.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1941 -6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3262 -5.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4584 -6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1941 -7.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0620 -4.5593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 3 1 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 3 7 2 0 0 0 4 8 1 1 0 0 4 9 1 0 0 0 5 10 1 0 0 0 6 11 2 0 0 0 7 10 1 0 0 0 9 11 1 0 0 0 1 12 1 1 0 0 9 13 1 1 0 0 8 14 1 0 0 0 15 14 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 15 18 1 0 0 0 17 19 1 1 0 0 15 20 1 6 0 0 16 21 1 0 0 0 21 22 2 0 0 0 21 23 1 0 0 0 2 24 1 6 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 24 25 1 0 0 0 26 29 1 1 0 0 25 30 2 0 0 0 M END > CHEBI:39508 > mevinic acid > A member of the class of hexahydronaphthalenes that is 1,2,6,7,8,8a-hexahydronaphthalene which is substituted by a (3R,5R)-6-carboxy-3,5-dihydroxyhexyl group at position 1, a methyl group at position 2, and a (2S)-2-methylbutanoyloxy group at position 8 (the 1S,2S,8S,8aR isomer). Lactonisation of the hydroxy-carboxylic acid chain at position 1 affords mevastatin. > 3 > ML-236B acid; ML 236B acid; mevastatin hydroxy acid; mevastatin acid; mevastatin (acid form); compactin acid > (3R,5R)-3,5-dihydroxy-7-[(1S,2S,8S,8aR)-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid > C23H36O6 > 408.529 > 408.25119 > 0 > [C@@]12([C@H](CCC=C1C=C[C@@H]([C@@H]2CC[C@H](C[C@H](CC(=O)O)O)O)C)OC([C@H](CC)C)=O)[H] > InChI=1S/C23H36O6/c1-4-14(2)23(28)29-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-17(24)12-18(25)13-21(26)27/h6,8-9,14-15,17-20,22,24-25H,4-5,7,10-13H2,1-3H3,(H,26,27)/t14-,15-,17+,18+,19-,20-,22-/m0/s1 > BOZILQFLQYBIIY-INTXDZFKSA-N > 84064-38-0 > 84064-38-0 > 114 > 1010803; 16042349 $$$$