Mrv1652309082218532D 28 30 0 0 1 0 999 V2000 4.0425 -0.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 0.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7221 0.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5043 0.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4744 1.3007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6495 1.3084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3873 0.5262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5111 0.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 -0.3545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2677 -1.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0730 -1.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6307 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3207 -2.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2378 -0.0923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4249 -0.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8866 0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6024 1.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6776 1.4345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2455 0.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9398 2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3935 2.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7483 2.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0105 3.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8191 3.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3654 2.7088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1739 2.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1032 1.9266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2946 1.7626 0.0000 O 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 2 0 0 0 0 3 5 1 0 0 0 0 6 5 1 6 0 0 0 6 7 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 9 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 1 0 0 0 14 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 25 27 1 0 0 0 0 6 27 1 0 0 0 0 27 28 1 1 0 0 0 M END > NP0270821 > NP-MRD > C[C@@H]1CCCC(=C)[C@H]2CC[C@](C)(O2)[C@@H](C[C@@H]2[C@@H](OC(=O)C2=C)[C@H]1O)OC(C)=O > InChI=1S/C22H32O6/c1-12-7-6-8-13(2)19(24)20-16(14(3)21(25)27-20)11-18(26-15(4)23)22(5)10-9-17(12)28-22/h13,16-20,24H,1,3,6-11H2,2,4-5H3/t13-,16+,17-,18-,19+,20-,22+/m1/s1 > VZRGSEITNXYROX-XDAOFUGJSA-N > C22H32O6 > 392.492 > 392.21988875 > 4 > 60 > 42.277123568198476 > 1 > 1 > 0 > 1 > (1S,2R,4S,8R,9S,10R,15R)-9-hydroxy-1,10-dimethyl-5,14-dimethylidene-6-oxo-7,18-dioxatricyclo[13.2.1.0^{4,8}]octadecan-2-yl acetate > 3.096069571333334 > 0 > 3 > 0 > 13.919286122016185 > -3.2715042502301213 > 82.06 > 102.69250000000001 > 2 > 1 > (1S,2R,4S,8R,9S,10R,15R)-9-hydroxy-1,10-dimethyl-5,14-dimethylidene-6-oxo-7,18-dioxatricyclo[13.2.1.0^{4,8}]octadecan-2-yl acetate > 0 > NP0270821 > (1s,2r,4s,8r,9s,10r,15r)-9-hydroxy-1,10-dimethyl-5,14-dimethylidene-6-oxo-7,18-dioxatricyclo[13.2.1.0⁴,⁸]octadecan-2-yl acetate $$$$