Marvin 01241308382D 46 48 0 0 0 0 999 V2000 0.1147 -0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8261 2.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6945 -0.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8564 1.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1999 1.8983 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2783 0.2504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0209 3.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7018 1.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4136 2.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 2.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4136 0.6629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4161 2.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6211 2.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6908 2.6082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4835 0.7399 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4817 3.0880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0294 3.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9901 0.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8261 1.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6211 1.5858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0313 1.3648 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2783 1.0714 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0231 3.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7388 4.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6902 4.2560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 3.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3311 -1.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 -0.4241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2507 -2.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0348 -2.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7636 -3.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -2.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1272 -1.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3813 2.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2059 2.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6415 3.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 1.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7018 1.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2746 1.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4257 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3395 0.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8130 -0.2525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2705 0.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8266 -0.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4738 -1.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6483 -0.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 28 2 0 0 0 0 3 1 1 0 0 0 0 2 9 2 0 0 0 0 13 2 1 0 0 0 0 15 3 1 6 0 0 0 21 4 1 1 0 0 0 14 5 1 0 0 0 0 10 5 1 0 0 0 0 5 34 1 6 0 0 0 5 22 1 0 0 0 0 22 6 1 1 0 0 0 7 23 1 0 0 0 0 14 7 1 1 0 0 0 11 8 1 0 0 0 0 8 18 2 0 0 0 0 8 38 1 0 0 0 0 9 16 1 0 0 0 0 21 10 1 0 0 0 0 19 11 1 0 0 0 0 11 43 1 6 0 0 0 13 12 1 0 0 0 0 13 20 1 0 0 0 0 13 17 1 0 0 0 0 16 14 1 0 0 0 0 22 15 1 0 0 0 0 15 21 1 0 0 0 0 16 26 1 6 0 0 0 18 22 1 0 0 0 0 20 19 1 0 0 0 0 20 39 1 1 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 27 29 2 0 0 0 0 33 27 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 2 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 2 0 0 0 0 M END > CHEBI:65886 > euphornin L > A macrocyclic diterpenoid isolated from Euphorbia helioscopia and has been shown to exhibit cytotoxicity against HL-60 cell lines. > 3 > (1S,2R,3aR,4R,5S,6E,9R,11R,12E,13aS)-3a,4,9,11-tetrakis(acetyloxy)-2,5,8,8,12-pentamethyl-2,3,3a,4,5,8,9,10,11,13a-decahydro-1H-cyclopenta[12]annulen-1-yl benzoate > C35H46O10 > 626.73370 > 626.30910 > 0 > [H][C@@]12\C=C(C)\[C@@H](C[C@@H](OC(C)=O)C(C)(C)\C=C\[C@H](C)[C@@H](OC(C)=O)[C@]1(C[C@@H](C)[C@@H]2OC(=O)c1ccccc1)OC(C)=O)OC(C)=O > InChI=1S/C35H46O10/c1-20-15-16-34(8,9)30(42-24(5)37)18-29(41-23(4)36)21(2)17-28-31(44-33(40)27-13-11-10-12-14-27)22(3)19-35(28,45-26(7)39)32(20)43-25(6)38/h10-17,20,22,28-32H,18-19H2,1-9H3/b16-15+,21-17+/t20-,22+,28-,29+,30+,31-,32+,35+/m0/s1 > FZKCYZNAORCYGO-YJKPJJMFSA-N > 18452010; 19099222 $$$$