Mrv1652309112221102D 28 30 0 0 1 0 999 V2000 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 2.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 3.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6119 3.9995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 3.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 2.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3882 -2.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3276 -2.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6098 -3.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 2 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 5 4 1 1 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 2 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 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 1 0 0 0 0 9 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 24 26 1 6 0 0 0 26 27 1 0 0 0 0 28 24 1 6 0 0 0 5 28 1 0 0 0 0 18 28 1 0 0 0 0 M END > NP0318590 > NP-MRD > CC(=O)O[C@H]1CC(C)=C(CCC2=CC(=O)OC2)[C@@]2(C)C[C@@H](O)C[C@](C)(CO)[C@H]12 > InChI=1S/C22H32O6/c1-13-7-18(28-14(2)24)20-21(3,12-23)9-16(25)10-22(20,4)17(13)6-5-15-8-19(26)27-11-15/h8,16,18,20,23,25H,5-7,9-12H2,1-4H3/t16-,18-,20-,21+,22+/m0/s1 > SSHXEFFLUHQYJI-WROXGLCASA-N > C22H32O6 > 392.492 > 392.21988875 > 4 > 60 > 42.496075172988775 > 1 > 2 > 0 > 1 > (1S,4aS,6R,8S,8aR)-6-hydroxy-8-(hydroxymethyl)-3,4a,8-trimethyl-4-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl acetate > 1.4598977203333336 > 1 > 3 > 0 > 14.850541896406117 > 7.428291472679421 > -2.7067233065029574 > 93.06000000000002 > 105.1978 > 6 > 1 > (1S,4aS,6R,8S,8aR)-6-hydroxy-8-(hydroxymethyl)-3,4a,8-trimethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-1,2,5,6,7,8a-hexahydronaphthalen-1-yl acetate > 0 > NP0318590 > (1s,4as,6r,8s,8ar)-6-hydroxy-8-(hydroxymethyl)-3,4a,8-trimethyl-4-[2-(5-oxo-2h-furan-3-yl)ethyl]-1,2,5,6,7,8a-hexahydronaphthalen-1-yl acetate $$$$