600-59-9
3-BETA-HYDROXY-5-ALPHA-PREGNANE-11,20-DIONE
Name3-BETA-HYDROXY-5-ALPHA-PREGNANE-11,20-DIONE
1Identification
【Name】
3-BETA-HYDROXY-5-ALPHA-PREGNANE-11,20-DIONE
【CAS】
【MDL】
MFCD00199943
【English Synonyms】
【Formula】
C21 H32 O3
【MolWeight】
332.481
【Inchi】
InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14-,15-,16+,17-,19+,20-,21+/m0/s1
【InChIKey】
InChIKey=DUHUCHOQIDJXAT-YUUPMBNKSA-N
【SMILES】
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
【MOL File】
3-BETA-HYDROXY-5-ALP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-BETA-HYDROXY-5-ALPHA-PREGNANE-11,20-DIONE.cml