Mrv1652309122216462D 31 33 0 0 1 0 999 V2000 -2.0045 -2.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2508 -1.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5834 -2.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6696 -3.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1703 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8377 -2.6100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2857 -3.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2502 -1.8955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0572 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3897 -3.2231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6704 -4.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1401 -5.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3364 -3.5410 0.0000 C 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 6 5 1 1 0 0 0 6 7 1 6 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 6 0 0 0 6 11 1 0 0 0 0 10 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 2 0 0 0 0 15 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 12 21 2 0 0 0 0 21 22 1 0 0 0 0 23 22 1 1 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 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 23 30 1 0 0 0 0 10 30 1 0 0 0 0 30 31 1 1 0 0 0 M END > NP0329913 > NP-MRD > COC(=O)C[C@@]1(C)CC[C@@]2(O1)C(COC(=O)CC(C)C)=CC[C@H]1C(C)(C)CCC[C@]21C > InChI=1S/C26H42O5/c1-18(2)15-21(27)30-17-19-9-10-20-23(3,4)11-8-12-25(20,6)26(19)14-13-24(5,31-26)16-22(28)29-7/h9,18,20H,8,10-17H2,1-7H3/t20-,24+,25-,26+/m0/s1 > ALMXGEAICAOSNG-KBCQWCIPSA-N > C26H42O5 > 434.617 > 434.303224452 > 3 > 73 > 50.422118320518024 > 1 > 0 > 0 > 0 > [(1S,4aS,5'R,8aS)-5'-(2-methoxy-2-oxoethyl)-5,5,5',8a-tetramethyl-4a,5,6,7,8,8a-hexahydro-4H-spiro[naphthalene-1,2'-oxolane]-2-yl]methyl 3-methylbutanoate > 5.126915339333332 > 1 > 3 > 0 > -4.244181852014293 > 61.830000000000005 > 121.10789999999999 > 8 > 0 > (1S,4aS,5'R,8aS)-5'-(2-methoxy-2-oxoethyl)-5,5,5',8a-tetramethyl-4a,6,7,8-tetrahydro-4H-spiro[naphthalene-1,2'-oxolane]-2-ylmethyl 3-methylbutanoate > 0 > NP0329913 > (1s,4as,5'r,8as)-5'-(2-methoxy-2-oxoethyl)-5,5,5',8a-tetramethyl-4a,6,7,8-tetrahydro-4h-spiro[naphthalene-1,2'-oxolan]-2-ylmethyl 3-methylbutanoate $$$$