InChI=1S/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14-,15-,16+,17+,19+,20+,21+/m1/s1

【InChIKey】

InChIKey=UPTAPIKFKZGAGM-FAIYVORSSA-N

【SMILES】

C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O

【MOL File】

5-BETA-PREGNAN-3-ALP….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:3

H bond acceptor:4

XLogP3:3.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

【WGK Germany】

4CML File

5-BETA-PREGNAN-3-ALPHA, 17,21-TRIOL-20-ONE.cml

Quick Release

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68-60-0 5-BETA-PREGNAN-3-ALPHA, 17,21-TRIOL-20-ONE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】