Ketcher 11101717052D 1 1.00000 0.00000 0 33 35 0 1 0 999 V2000 5.4642 -5.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6010 -6.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6010 -7.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4642 -7.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3275 -7.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3275 -6.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1908 -5.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1908 -7.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0539 -7.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0539 -6.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9658 -8.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9626 -8.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3275 -5.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3275 -8.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1908 -4.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7377 -7.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0539 -4.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9172 -4.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7805 -4.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6436 -4.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5070 -4.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3701 -4.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2334 -4.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0967 -4.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9599 -4.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8232 -4.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7805 -3.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2334 -3.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8200 -4.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3303 -5.9155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9172 -5.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3020 -4.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8167 -4.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 6 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 3 16 1 1 0 0 4 5 1 0 0 0 4 11 1 0 0 0 4 12 1 0 0 0 5 6 1 0 0 0 5 8 1 0 0 0 5 14 1 6 0 0 7 6 1 0 0 0 6 13 1 1 0 0 7 10 1 0 0 0 7 15 1 1 0 0 8 9 1 0 0 0 9 10 1 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 26 25 1 1 0 0 19 27 1 0 0 0 23 28 1 0 0 0 26 29 1 0 0 0 26 30 1 0 0 0 29 30 1 0 0 0 15 17 1 0 0 0 10 31 2 0 0 0 32 29 1 0 0 0 33 29 1 0 0 0 M END > CHEBI:138305 > (21S)-21,22-epoxypolypoda-8(26)-13,17-trien-3beta-ol > A triterpenoid that is an intermediate in the biosynthesis of α-onocerin by the fern Lycopodium clavatum. > 3 > pre-alpha-onocerin; polypoda-8(26),13,17-trien-21,22-epoxy-3beta-ol > (2S,4aR,5S,8aR)-5-{(3E,7E)-10-[(2S)-3,3-dimethyloxiran-2-yl]-4,8-dimethyldeca-3,7-dien-1-yl}-1,1,4a-trimethyl-6-methylidenedecahydronaphthalen-2-ol > C30H50O2 > 442.718 > 442.38108 > 0 > C1C[C@@H](C([C@]2([C@]1([C@H](C(CC2)=C)CC/C=C(/CC/C=C(/CC[C@H]3C(O3)(C)C)\C)\C)C)[H])(C)C)O > InChI=1S/C30H50O2/c1-21(11-9-12-22(2)15-18-27-29(6,7)32-27)13-10-14-24-23(3)16-17-25-28(4,5)26(31)19-20-30(24,25)8/h12-13,24-27,31H,3,9-11,14-20H2,1-2,4-8H3/b21-13+,22-12+/t24-,25-,26-,27-,30+/m0/s1 > YOXYJGZFQYXPHZ-AEBUGLRVSA-N > 29170306 > CPD-20474 > 26663356 $$$$