5888-08-4
5-PREGNEN-6,16ALPHA-DIMETHYL-3BETA-OL-20-ONE
Name5-PREGNEN-6,16ALPHA-DIMETHYL-3BETA-OL-20-ONE
1Identification
【Name】
5-PREGNEN-6,16ALPHA-DIMETHYL-3BETA-OL-20-ONE
【CAS】
【MDL】
MFCD00069466
【English Synonyms】
【Formula】
C23 H36 O2
【MolWeight】
344.535
【Inchi】
InChI=1S/C23H36O2/c1-13-10-17-18(22(4)8-6-16(25)12-19(13)22)7-9-23(5)20(17)11-14(2)21(23)15(3)24/h14,16-18,20-21,25H,6-12H2,1-5H3/t14-,16+,17-,18+,20+,21-,22-,23+/m1/s1
【InChIKey】
InChIKey=DRPLHESJRFWVSU-RQKNUZMPSA-N
【SMILES】
C[C@@H]1C[C@H]2[C@@H]3CC(=C4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@H]1C(=O)C)C)C)O)C
【MOL File】
5-PREGNEN-6,16ALPHA-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-PREGNEN-6,16ALPHA-DIMETHYL-3BETA-OL-20-ONE.cml