Mrv1652309072218542D 28 30 0 0 1 0 999 V2000 6.8864 -0.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6372 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2377 1.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0079 0.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1697 1.8225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4845 2.2820 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0651 2.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6980 2.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4025 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8205 0.5512 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8639 -0.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0636 0.1538 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6774 -0.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4482 0.7033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0797 -0.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6392 0.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5429 1.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2924 2.0290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8519 1.4228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7325 2.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1368 3.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4644 3.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2894 3.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0185 2.9628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5679 3.5782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3756 3.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9250 4.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6338 2.6265 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 5 6 1 0 0 0 0 6 7 1 1 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 10 9 1 1 0 0 0 2 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 6 0 0 0 12 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 6 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 6 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 M END > NP0253131 > NP-MRD > CC(=O)O[C@@H]1CCC(=C)[C@H]2CC[C@@](C)(O2)[C@@H](O)C[C@H]2CC[C@@]1(C)OC(=O)C2=C > InChI=1S/C22H32O6/c1-13-6-7-19(26-15(3)23)22(5)10-8-16(14(2)20(25)28-22)12-18(24)21(4)11-9-17(13)27-21/h16-19,24H,1-2,6-12H2,3-5H3/t16-,17-,18+,19-,21-,22-/m1/s1 > FKJVUNAVIADAQC-ZKPRYKGHSA-N > C22H32O6 > 392.492 > 392.21988875 > 4 > 60 > 42.78783192939728 > 1 > 1 > 0 > 1 > (1R,3S,4R,7R,11R,12R)-3-hydroxy-4,12-dimethyl-8,15-dimethylidene-14-oxo-13,18-dioxatricyclo[10.3.2.1^{4,7}]octadecan-11-yl acetate > 2.9337196833333334 > 0 > 3 > 0 > 13.98107662411794 > -3.244477084610814 > 82.06 > 102.9361 > 2 > 1 > (1R,3S,4R,7R,11R,12R)-3-hydroxy-4,12-dimethyl-8,15-dimethylidene-14-oxo-13,18-dioxatricyclo[10.3.2.1^{4,7}]octadecan-11-yl acetate > 0 > NP0253131 > (1r,3s,4r,7r,11r,12r)-3-hydroxy-4,12-dimethyl-8,15-dimethylidene-14-oxo-13,18-dioxatricyclo[10.3.2.1⁴,⁷]octadecan-11-yl acetate $$$$