5BETA-PREGNANE-3ALPHA,20ALPHA-DIOL(80-92-2) IR2

Product Name5BETA-PREGNANE-3ALPHA,20ALPHA-DIOL

CAS 80-92-2

Molecular FormulaC21H36O2

Molecular Weight320.51

InChIInChI=1/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+/s3

InChIKey YWYQTGBBEZQBGO-WONLAROANA-N

Smiles[C@]12([H])CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CC[C@]1([H])C[C@H](O)CC[C@]21C)[C@@H](O)C |&1:0,4,6,9,11,15,18,22,24,r|

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¹³CNMR

IR1

IR2

in CDCl3

KBr disc

nujol mull

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