InChI=1S/C21H34O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h14-18,23-24H,4-12H2,1-3H3/t14-,15-,16+,17-,18-,19-,20-,21-/m0/s1

【InChIKey】

InChIKey=LKQDFQLSEHWIRK-FJCZRMHDSA-N

【SMILES】

CC(=O)[C@]1(CC[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】

3-BETA,17-ALPHA-DIHY….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:2

H bond acceptor:3

XLogP3:3.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

3-BETA,17-ALPHA-DIHYDROXY-5-ALPHA-PREGNAN-20-ONE.cml

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570-54-7 3-BETA,17-ALPHA-DIHYDROXY-5-ALPHA-PREGNAN-20-ONE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】