Mrv1652309092213002D 24 27 0 0 1 0 999 V2000 -1.0574 -0.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3254 0.0955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2559 0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5102 1.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3012 0.9162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0136 0.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 -0.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7724 -0.3886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8491 0.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2118 1.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4159 2.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2102 2.2289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 -0.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1943 -0.0037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4081 -0.3344 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7361 -1.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3834 -1.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0413 -2.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2812 -3.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3413 -3.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0486 -3.3464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8631 -2.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4045 -1.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 4 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 7 1 6 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 8 13 1 0 0 0 0 14 13 1 6 0 0 0 5 14 1 0 0 0 0 14 15 1 0 0 0 0 2 15 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 19 23 1 0 0 0 0 23 24 2 0 0 0 0 M END > NP0283661 > NP-MRD > C[C@@H]1CC[C@]23CO[C@H](C[C@@H]2[C@@]1(C)CCC1=CCOC1=O)C=C3CO > InChI=1S/C20H28O4/c1-13-3-7-20-12-24-16(9-15(20)11-21)10-17(20)19(13,2)6-4-14-5-8-23-18(14)22/h5,9,13,16-17,21H,3-4,6-8,10-12H2,1-2H3/t13-,16+,17-,19+,20-/m1/s1 > XENBMCJRMNPFIU-WEDJFCISSA-N > C20H28O4 > 332.44 > 332.198759382 > 3 > 52 > 36.72586401328257 > 1 > 1 > 0 > 1 > 3-{2-[(1S,4R,5S,6R,8R)-11-(hydroxymethyl)-4,5-dimethyl-9-oxatricyclo[6.2.2.0^{1,6}]dodec-11-en-5-yl]ethyl}-2,5-dihydrofuran-2-one > 2.5602240250000006 > 0 > 4 > 0 > 15.13583736002558 > 13.386156881419229 > -2.742859234911961 > 55.76 > 92.9061 > 4 > 1 > 3-{2-[(1S,4R,5S,6R,8R)-11-(hydroxymethyl)-4,5-dimethyl-9-oxatricyclo[6.2.2.0^{1,6}]dodec-11-en-5-yl]ethyl}-5H-furan-2-one > 0 > NP0283661 > 3-{2-[(1s,4r,5s,6r,8r)-11-(hydroxymethyl)-4,5-dimethyl-9-oxatricyclo[6.2.2.0¹,⁶]dodec-11-en-5-yl]ethyl}-5h-furan-2-one $$$$