Marvin 07041313332D 48 53 0 0 0 0 999 V2000 11.6307 -8.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3456 -8.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3438 -6.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0591 -7.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0640 -8.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8515 -8.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8436 -7.1281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3352 -7.7923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1188 -7.5302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1116 -6.7038 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3235 -6.4554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3413 -6.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0618 -5.6730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4250 -6.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7748 -6.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5314 -6.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6814 -5.3933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7904 -8.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6302 -8.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1946 -6.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7098 -8.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3806 -9.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1323 -8.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2092 -8.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5374 -7.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1127 -9.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4073 -9.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2180 -10.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7333 -9.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4359 -8.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5161 -10.8552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9989 -11.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9160 -8.6309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2018 -8.2179 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2018 -7.3932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4918 -6.9802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7746 -7.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7720 -8.2146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4865 -8.6322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0558 -8.6241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3430 -8.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0523 -9.4491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3465 -7.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9170 -6.9819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6308 -7.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9183 -6.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 -9.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0545 -5.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 9 1 0 0 0 0 22 23 2 0 0 0 0 9 10 1 0 0 0 0 23 24 1 0 0 0 0 10 11 1 0 0 0 0 24 25 2 0 0 0 0 25 18 1 0 0 0 0 11 7 1 0 0 0 0 19 26 2 0 0 0 0 1 2 1 0 0 0 0 26 27 1 0 0 0 0 3 12 1 0 0 0 0 27 28 2 0 0 0 0 2 5 2 0 0 0 0 28 29 1 0 0 0 0 11 13 1 6 0 0 0 29 30 2 0 0 0 0 30 19 1 0 0 0 0 5 6 1 0 0 0 0 28 31 1 0 0 0 0 7 14 1 1 0 0 0 31 32 1 0 0 0 0 6 8 1 0 0 0 0 1 33 1 0 0 0 0 10 15 1 6 0 0 0 34 33 1 6 0 0 0 34 35 1 0 0 0 0 7 4 1 0 0 0 0 15 16 1 0 0 0 0 7 8 1 0 0 0 0 15 17 2 0 0 0 0 45 1 2 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 9 18 1 1 0 0 0 38 40 1 0 0 0 0 4 3 2 0 0 0 0 40 41 1 0 0 0 0 8 19 1 1 0 0 0 40 42 1 1 0 0 0 3 45 1 0 0 0 0 41 43 1 0 0 0 0 16 20 1 0 0 0 0 35 44 1 1 0 0 0 4 5 1 0 0 0 0 18 21 2 0 0 0 0 44 46 1 0 0 0 0 38 47 1 6 0 0 0 21 22 1 0 0 0 0 12 48 1 0 0 0 0 M END > CHEBI:66485 > epi-silvestrol > An organic heterotricyclic compound that is a 5'''-epimer of silvestrol. Isolated from Aglaia silvestris, it exhibits antineoplastic activity. > 3 > 5'''-episilvestrol > methyl (1R,2R,3S,3aR,8bS)-6-({(2S,3R,6R)-6-[(1S)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl}oxy)-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-2-carboxylate > C34H38O13 > 654.65770 > 654.23124 > 0 > [H][C@@]1(CO[C@@H](OC)[C@H](Oc2cc(OC)c3c(O[C@]4([C@@H]([C@H]([C@@H](O)[C@@]34O)C(=O)OC)c3ccccc3)c3ccc(OC)cc3)c2)O1)[C@@H](O)CO > InChI=1S/C34H38O13/c1-40-20-12-10-19(11-13-20)34-27(18-8-6-5-7-9-18)26(30(38)42-3)29(37)33(34,39)28-23(41-2)14-21(15-24(28)47-34)45-32-31(43-4)44-17-25(46-32)22(36)16-35/h5-15,22,25-27,29,31-32,35-37,39H,16-17H2,1-4H3/t22-,25+,26+,27+,29+,31+,32+,33-,34-/m0/s1 > GVKXFVCXBFGBCD-JRPGFILLSA-N > 9977231 > 15132542; 20939540 $$$$