InChI=1S/C23H30O6/c1-13(25)29-11-20(28)18-6-5-17-16-4-3-14-9-15(26)7-8-22(14,2)21(16)19(27)10-23(17,18)12-24/h7-9,16-19,21,24,27H,3-6,10-12H2,1-2H3/t16-,17-,18+,19-,21+,22-,23+/m0/s1

【InChIKey】

InChIKey=ZILQESIRZUNREF-IEJDVFFQSA-N

【SMILES】

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

【MOL File】

1-DEHYDROALDOSTERONE….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:2

H bond acceptor:6

XLogP3:0.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

1-DEHYDROALDOSTERONE 21-ACETATE.cml

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58761-40-3 1-DEHYDROALDOSTERONE 21-ACETATE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】