CDK 1030232201 34 39 0 0 0 0 0 0 0 0999 V2000 5.1613 3.3731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7408 2.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1452 1.9442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9158 2.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7060 1.2028 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4645 1.9528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9493 1.2854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1626 0.5157 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6439 1.8666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4492 0.2775 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3633 1.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9860 0.5675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7958 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2297 0.8205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1452 2.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0367 0.9920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8971 -0.3355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9725 -0.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2524 -0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6057 -1.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8857 -1.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0758 -0.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0623 -1.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3423 -2.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 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 3.6955 -2.4403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9755 -3.0755 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 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 4.1521 -3.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4321 -3.7627 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 5 3 1 1 0 0 0 6 4 1 1 0 0 0 7 5 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 7 11 1 6 0 0 0 8 12 1 6 0 0 0 8 13 1 0 0 0 0 14 9 1 0 0 0 0 9 15 1 1 0 0 0 10 16 1 6 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 13 19 1 0 0 0 0 20 14 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 24 20 1 0 0 0 0 21 25 2 0 0 0 0 22 26 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 6 0 0 0 25 29 1 0 0 0 0 30 26 1 0 0 0 0 27 31 1 0 0 0 0 27 32 1 0 0 0 0 29 33 1 0 0 0 0 30 34 1 1 0 0 0 6 7 1 0 0 0 0 13 18 2 0 0 0 0 14 16 1 6 0 0 0 20 17 1 6 0 0 0 22 25 1 0 0 0 0 30 33 1 0 0 0 0 M END > CHEBI:216419 > Asperfloketal A > 2 > (1S,7S,12R,13R,17R,18S,19R,20R,22S)-7,12-dihydroxy-10,18,22-trimethyl-20-[(2R)-3-methylbutan-2-yl]-14,21,23-trioxahexacyclo[11.8.1.11,19.02,11.04,9.017,22]tricosa-2(11),3,9-trien-15-one > C28H38O6 > 470.606 > 470.26684 > 0 > O=C1O[C@@H]2[C@]3([C@@]4(O[C@H]([C@H]([C@H]3C1)C)[C@@H]([C@@H](C(C)C)C)O4)C=5C=C6CC[C@@H](CC6=C(C5[C@H]2O)C)O)C > InChI=1S/C28H38O6/c1-12(2)13(3)24-25-15(5)19-11-21(30)32-26-23(31)22-14(4)18-10-17(29)8-7-16(18)9-20(22)28(33-24,34-25)27(19,26)6/h9,12-13,15,17,19,23-26,29,31H,7-8,10-11H2,1-6H3/t13-,15+,17+,19-,23-,24-,25-,26+,27+,28+/m1/s1 > JLEFZUGNFYHOCU-GWBUPURTSA-N $$$$