566-57-4
5-ALPHA-PREGNAN-3-ALPHA,20-BETA-DIOL
Name5-ALPHA-PREGNAN-3-ALPHA,20-BETA-DIOL
1Identification
【Name】
5-ALPHA-PREGNAN-3-ALPHA,20-BETA-DIOL
【CAS】
【MDL】
MFCD00076090
【English Synonyms】
【Formula】
C21 H36 O2
【MolWeight】
320.513
【Inchi】
InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15-,16+,17-,18+,19+,20+,21-/m1/s1
【InChIKey】
InChIKey=YWYQTGBBEZQBGO-HZCKZVNYSA-N
【SMILES】
C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C)O
【MOL File】
5-ALPHA-PREGNAN-3-AL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-ALPHA-PREGNAN-3-ALPHA,20-BETA-DIOL.cml