Technical Information |
Synonym: Wilforlide A; Regelide; Abruslactone A; Chemical Name: (2S, 5S, 5aR, 7aS, 7bR, 9aR, 11S, 13aR, 13bR, 15bS)-11-hydroxy-2, 5a, 7a, 7b, 10, 10, 13a-heptamethyl-1, 5, 5a, 6, 7, 7a, 7b, 8, 9, 9a, 10, 11, 12, 13, 13a, 13b, 14, 15b-octadecahydro-2, 5-methanochryseno[2, 1-c]oxepin-3(2H)-one InChi Key: HHQJBWYXBWOFJY-YLXTXNMFSA-N InChi Code: InChI=1S/C30H46O3/c1-25(2)20-10-13-30(7)21(28(20, 5)12-11-22(25)31)9-8-18-19-16-26(3)17-23(33-24(26)32)27(19, 4)14-15-29(18, 30)6/h8, 19-23, 31H, 9-17H2, 1-7H3/t19-, 20-, 21+, 22-, 23-, 26-, 27+, 28-, 29+, 30+/m0/s1 SMILES Code: O=C1[C](C2)(C)C[C]3([H])[C](CC[C]4(C)[C]5(C)CC[C]6([H])C(C)(C)[CH](O)CC[C]6(C)[C]5([H])CC=C43)(C)[C]2([H])O1 |