InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14-,15+,16-,17+,19-,20+,21-/m1/s1

【InChIKey】

InChIKey=DUHUCHOQIDJXAT-CSXWOMMHSA-N

【SMILES】

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C

【MOL File】

5BETA-PREGNAN-3ALPHA….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:1

H bond acceptor:3

XLogP3:2.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

5BETA-PREGNAN-3ALPHA-OL-11,20-DIONE.cml

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565-99-1 5BETA-PREGNAN-3ALPHA-OL-11,20-DIONE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】