CDK 1028232202 30 34 0 0 0 0 0 0 0 0999 V2000 0.7144 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4290 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -4.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -4.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3974 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9849 -3.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -5.3625 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 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 11 7 1 1 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 1 0 0 0 16 13 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 1 0 0 0 14 19 1 0 0 0 0 20 16 1 0 0 0 0 17 21 1 0 0 0 0 22 20 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 1 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 27 25 1 0 0 0 0 25 28 1 0 0 0 0 25 29 1 0 0 0 0 27 30 1 1 0 0 0 6 8 1 0 0 0 0 11 12 1 0 0 0 0 16 19 1 1 0 0 0 22 21 1 1 0 0 0 26 27 1 0 0 0 0 M END > CHEBI:199430 > Chevalone A > 2 > (1R,2S,11S,14R,15R,18S,20R)-18-hydroxy-1,7,11,15,19,19-hexamethyl-6,10-dioxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),7-dien-5-one > C26H38O4 > 414.586 > 414.27701 > 0 > O=C1OC(=CC2=C1C[C@H]3[C@]4([C@@H]([C@@]5([C@H](C([C@@H](O)CC5)(C)C)CC4)C)CC[C@@]3(O2)C)C)C > InChI=1S/C26H38O4/c1-15-13-17-16(22(28)29-15)14-20-25(5)10-7-18-23(2,3)21(27)9-11-24(18,4)19(25)8-12-26(20,6)30-17/h13,18-21,27H,7-12,14H2,1-6H3/t18-,19+,20-,21-,24-,25+,26-/m0/s1 > XVYAFRIRAFSVGL-KFCOXGNHSA-N $$$$