prednylidene CDK 0223171738 null 30 33 0 0 0 0 0 0 0 0999 V2000 1.0686 -1.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0686 -2.3890 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0686 -3.2222 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7810 -1.9735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3562 -1.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3562 -3.6378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4935 -3.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -1.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4955 -1.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4935 -2.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -2.3890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3583 -3.2222 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3562 -4.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4955 -0.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0666 -0.7370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2079 -1.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0727 -1.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0707 -3.6378 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3583 -4.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 -1.1485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0707 -2.8128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0707 -4.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7831 -3.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7831 -4.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4955 -3.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4955 -4.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2100 -4.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3562 -2.8128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -4.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0686 -4.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 3 2 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 6 3 1 0 0 0 0 3 7 1 0 0 0 0 3 30 1 6 0 0 0 4 8 1 1 0 0 0 4 9 1 6 0 0 0 4 10 1 0 0 0 0 11 5 1 0 0 0 0 12 6 1 0 0 0 0 6 13 1 0 0 0 0 6 28 1 1 0 0 0 7 10 1 0 0 0 0 8 14 1 0 0 0 0 8 15 2 0 0 0 0 10 16 2 0 0 0 0 12 11 1 0 0 0 0 11 17 1 1 0 0 0 12 18 1 0 0 0 0 12 29 1 6 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 18 21 1 1 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 19 22 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 M END > CHEBI:135572 > prednylidene > 2 > decortilen; dacortilen; dacorsol > C22H28O5 > 372.456 > 372.19367 > 0 > C[C@@]12[C@]([C@]3([C@]([C@H](C1)O)([C@]4(C)C(CC3)=CC(C=C4)=O)[H])[H])(CC([C@@]2(C(CO)=O)O)=C)[H] > InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,15-17,19,23,25,27H,1,4-5,8,10-11H2,2-3H3/t15-,16-,17-,19+,20-,21-,22-/m0/s1 > WSVOMANDJDYYEY-CWNVBEKCSA-N > 599-33-7 $$$$