ORACONAL

8064-66-2

MFCD01698972

C24 H32 O4 . C20 H24 O2

680.92

InChI=1S/C24H32O4.C20H24O2/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26;1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h12-13,18-20H,6-11H2,1-5H3;1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t18-,19+,20+,22-,23+,24+;16-,17-,18+,19+,20-/m11/s1

InChIKey=NIXVMBBZNVOBHS-OTTBCCRRSA-N

CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C.C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@]2(C#C)O)O

pro_donors:0

pro_acceptors:4

XLogP3:4.0

Bulk/Fine:F