3-Hydroxy-cholest-5-en-7-one Benzoate(6997-41-7)红外图谱(IR2)
InChI:InChI=1/C34H48O3/c1-22(2)10-9-11-23(3)27-14-15-28-31-29(17-19-34(27,28)5)33(4)18-16-26(20-25(33)21-30(31)35)37-32(36)24-12-7-6-8-13-24/h6-8,12-13,21-23,26-29,31H,9-11,14-20H2,1-5H3/t23-,26?,27-,28+,29+,31+,33+,34-/s3
InChIKey: CSZVQZAYIQQOMB-XXEBFQGGNA-N
Smiles:C1(OC(=O)C2=CC=CC=C2)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCCC(C)C)CC3)C(=O)C=2 |&1:12,16,18,20,22,26,27,r|