21594154 CDK 0512222200 36 40 0 0 0 0 0 0 0 0999 V2000 2.0084 -2.0540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1376 0.4054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4007 -0.8027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5941 -0.8245 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9081 -0.4285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1874 -0.8299 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2800 -0.4285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1810 -1.6549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6068 -1.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2800 0.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9881 0.7871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7056 0.3801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8955 -2.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4401 -2.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9881 -0.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 0.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4532 -0.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7056 -0.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1032 -1.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5941 0.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6959 -1.6606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1935 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5509 -1.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9682 1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7025 -0.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4532 0.8040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7056 2.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4532 1.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3946 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0468 -2.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8387 -2.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0937 2.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3017 2.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4912 -0.0919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1836 -2.3281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5658 1.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21 1 1 1 0 0 0 26 2 1 6 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 19 1 1 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 5 34 1 6 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 22 1 1 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 7 23 1 6 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 35 1 6 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 20 2 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 36 1 1 0 0 0 12 18 1 0 0 0 0 12 26 1 0 0 0 0 12 29 1 1 0 0 0 14 21 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 17 25 1 0 0 0 0 21 25 1 0 0 0 0 24 27 1 0 0 0 0 26 28 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 27 33 1 0 0 0 0 M END > CHEBI:191761 > 22alpha-Hydroxyerythrodiol > 2 > (3S,4aR,6aR,6bS,8aR,9S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol > C30H50O3 > 458.727 > 458.37600 > 0 > O[C@@H]1C([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)([C@@H](O)CC(C5)(C)C)CO)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C > InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-29(22,7)28(19,6)14-15-30(20,18-31)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1 > YXTURDGNXCWFHX-NEPODAOMSA-N $$$$