Marvin 08191309572D 37 40 0 0 0 0 999 V2000 11.8042 -9.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9792 -9.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3917 -9.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4236 -9.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4224 -10.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1372 -10.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8537 -10.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1354 -9.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8521 -9.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5579 -9.2481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1245 -8.4368 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8364 -8.0195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5535 -8.4241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5356 -6.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8244 -7.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2527 -7.1850 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2628 -8.0038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9730 -8.4022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6777 -7.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6676 -7.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9528 -6.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7090 -9.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1370 -11.7360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5685 -10.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5691 -11.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7076 -10.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7070 -11.7351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4059 -8.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3977 -7.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -6.8011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1081 -6.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5458 -7.5958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -7.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2583 -8.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2458 -6.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9415 -5.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2721 -9.6475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 5 6 1 0 0 0 0 8 11 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 9 10 1 0 0 0 0 4 22 1 0 0 0 0 13 10 1 0 0 0 0 6 23 1 0 0 0 0 12 11 1 0 0 0 0 7 24 1 0 0 0 0 12 13 1 0 0 0 0 24 25 2 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 26 27 2 0 0 0 0 7 9 1 0 0 0 0 11 28 1 1 0 0 0 8 4 1 0 0 0 0 28 29 1 0 0 0 0 12 15 1 0 0 0 0 29 30 1 0 0 0 0 13 17 1 0 0 0 0 29 31 1 0 0 0 0 16 14 1 0 0 0 0 13 32 1 1 0 0 0 14 15 1 0 0 0 0 12 33 1 6 0 0 0 16 17 1 0 0 0 0 17 34 1 6 0 0 0 8 9 2 0 0 0 0 16 35 1 6 0 0 0 2 1 1 0 0 0 0 21 36 2 0 0 0 0 18 2 1 1 0 0 0 4 5 2 0 0 0 0 2 37 1 0 0 0 0 M END > CHEBI:65870 > eucalyptal B > An organic heterotetracyclic compound whose skeleton is composed of 3,5-diformyl-isopentyl substituted phloroglucinol fused with a cadinane ring system. Isolated from Eucalyptus globulus, it exhibits antineoplastic activity. > 3 > (1R,4aS,6aR,7S,12aS,12bS)-4a,8,10-trihydroxy-1-(2-hydroxypropan-2-yl)-6a-methyl-4-methylidene-7-(2-methylpropyl)-2,3,4,4a,5,6,6a,7,12a,12b-decahydro-1H-benzo[c]xanthene-9,11-dicarbaldehyde > C28H38O7 > 486.59710 > 486.26175 > 0 > [H][C@@]12Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H](CC(C)C)[C@@]1(C)CC[C@@]1(O)C(=C)CC[C@H]([C@@]21[H])C(C)(C)O > InChI=1S/C28H38O7/c1-14(2)11-19-20-23(32)16(12-29)22(31)17(13-30)24(20)35-25-21-18(26(4,5)33)8-7-15(3)28(21,34)10-9-27(19,25)6/h12-14,18-19,21,25,31-34H,3,7-11H2,1-2,4-6H3/t18-,19-,21+,25+,27-,28-/m1/s1 > VWNYEWUFLXJJJS-GDTDCKGHSA-N > 15778337 > 18020353 $$$$