Ketcher 01312310302D 1 1.00000 0.00000 0 35 38 0 1 0 999 V2000 6.1475 -8.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2677 -8.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2677 -9.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8701 -10.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9996 -8.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8701 -7.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7599 -6.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6118 -7.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6118 -8.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5675 -8.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1352 -7.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5675 -7.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6118 -6.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9996 -7.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5014 -7.3019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3749 -10.4822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8701 -8.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6976 -5.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7599 -8.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7599 -9.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3075 -6.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1775 -5.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0475 -6.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0475 -7.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4375 -5.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5675 -6.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9175 -5.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9996 -9.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9996 -10.8412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1475 -10.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6118 -9.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1775 -4.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6559 -11.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6513 -11.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4819 -9.9597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 8 1 0 0 0 12 8 1 0 0 0 7 8 1 0 0 0 8 13 1 1 0 0 19 9 1 0 0 0 10 9 1 0 0 0 9 31 1 6 0 0 17 6 1 0 0 0 17 5 1 0 0 0 19 17 2 0 0 0 20 19 1 0 0 0 28 5 1 0 0 0 5 14 1 1 0 0 1 5 1 0 0 0 11 12 1 0 0 0 26 12 1 0 0 0 12 15 1 6 0 0 6 7 1 0 0 0 11 10 1 0 0 0 4 20 1 0 0 0 30 28 1 0 0 0 4 28 1 0 0 0 2 1 1 0 0 0 3 30 1 0 0 0 3 2 1 0 0 0 3 16 1 1 0 0 26 18 1 6 0 0 25 21 1 0 0 0 22 21 1 0 0 0 23 22 1 0 0 0 24 23 1 0 0 0 27 23 1 0 0 0 25 26 1 0 0 0 28 29 1 6 0 0 22 32 2 0 0 0 33 30 1 0 0 0 34 30 1 0 0 0 31 35 2 0 0 0 M END > CHEBI:194329 > 32-ketoeburicol > 2 > 32-oxoeburicol; 32-oxo-24-methylenelanost-8-en-3beta-ol; (3beta)-32-oxo-24-methylidenelanost-8-en-3-ol > C31H50O2 > 454.739 > 454.38108 > 0 > C1[C@@]2(C=3CC[C@]4([C@](C3CC[C@]2(C([C@H](C1)O)(C)C)[H])(CC[C@@]4([C@H](C)CCC(C(C)C)=C)[H])C=O)C)C > InChI=1S/C31H50O2/c1-20(2)21(3)9-10-22(4)23-14-18-31(19-32)25-11-12-26-28(5,6)27(33)15-16-29(26,7)24(25)13-17-30(23,31)8/h19-20,22-23,26-27,33H,3,9-18H2,1-2,4-8H3/t22-,23-,26+,27+,29-,30-,31-/m1/s1 > SRGDGDSDQBHQSM-VAPIERHISA-N $$$$