InChI=1S/C23H33NO5/c1-14(25)23(28)11-8-19-17-5-4-15-12-16(24-29-13-20(26)27)6-9-21(15,2)18(17)7-10-22(19,23)3/h12,17-19,28H,4-11,13H2,1-3H3,(H,26,27)/b24-16+/t17-,18+,19+,21+,22+,23+/m1/s1

【InChIKey】

InChIKey=NMRMMCZURGCYED-UDBJPGPLSA-N

【SMILES】

CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C/C(=N/OCC(=O)O)/CC[C@]34C)C)O

【MOL File】

4-PREGNEN-17-OL-3,20….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:2

H bond acceptor:6

XLogP3:3.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

4-PREGNEN-17-OL-3,20-DIONE 3-O-CARBOXYMETHYLOXIME.cml

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53260-10-9 4-PREGNEN-17-OL-3,20-DIONE 3-O-CARBOXYMETHYLOXIME

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】