45359227 CDK 1019211303 27 30 0 0 0 0 0 0 0 0999 V2000 4.0874 -0.9802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0630 2.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9812 0.2780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9285 -2.8889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1721 0.9478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9520 1.0862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4376 0.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4984 1.7695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1078 -0.3632 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6212 -0.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7770 1.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3645 -0.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2913 0.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 1.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6705 0.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7869 2.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4663 1.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8252 -0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2871 -1.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9933 -2.0665 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7676 -1.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8511 -0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4798 -1.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2619 3.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6006 2.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 1.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 2.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 23 1 0 0 0 0 2 14 1 0 0 0 0 2 26 1 0 0 0 0 3 15 2 0 0 0 0 20 4 1 6 0 0 0 5 26 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 6 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 8 14 1 0 0 0 0 8 16 1 6 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 18 1 0 0 0 0 9 22 1 1 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 19 2 0 0 0 0 14 15 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 26 27 1 0 0 0 0 M END > CHEBI:181597 > [(5R,6R,9R,12S)-12-hydroxy-6,9-dimethyl-3-oxo-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-13(16)-en-4-yl] acetate > 2 > [(5R,6R,9R,12S)-12-hydroxy-6,9-dimethyl-3-oxo-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-13(16)-en-4-yl] acetate > C22H32O5 > 376.493 > 376.22497 > 0 > O1C2C3[C@@]([C@H](C(OC(=O)C)C3=O)C(C)C)(CC[C@]4(C2=C([C@@H](O)CC4)C1)C)C > InChI=1S/C22H32O5/c1-11(2)15-20(27-12(3)23)18(25)17-19-16-13(10-26-19)14(24)6-7-21(16,4)8-9-22(15,17)5/h11,14-15,17,19-20,24H,6-10H2,1-5H3/t14-,15-,17?,19?,20?,21-,22+/m0/s1 > NGFGTILXQGWJEE-IDAHCIMXSA-N $$$$