667-65-2
5-BETA-PREGNAN-3-ALPHA,11-BETA,17,20-BETA,21-PENTOL
Name5-BETA-PREGNAN-3-ALPHA,11-BETA,17,20-BETA,21-PENTOL
1Identification
【Name】
5-BETA-PREGNAN-3-ALPHA,11-BETA,17,20-BETA,21-PENTOL
【CAS】
【MDL】
MFCD00070058
【English Synonyms】
【Formula】
C21 H36 O5
【MolWeight】
368.51
【Inchi】
InChI=1S/C21H36O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-18,22-26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17-,18-,19+,20+,21+/m1/s1
【InChIKey】
InChIKey=FFPUNPBUZDTHJI-ZFOKFBPFSA-N
【SMILES】
C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4([C@@H](CO)O)O)C)O)O
【MOL File】
5-BETA-PREGNAN-3-ALP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-BETA-PREGNAN-3-ALPHA,11-BETA,17,20-BETA,21-PENTOL.cml