What is the molecular formula of 14,17-Dihydroxypregn-4-ene-3,20-dione?
The molecular formula is C21H30O4.
What is the molecular weight of 14,17-Dihydroxypregn-4-ene-3,20-dione?
The molecular weight is 346.5 g/mol.
What is the IUPAC name of 14,17-Dihydroxypregn-4-ene-3,20-dione?
The IUPAC name is (8R,9S,10R,13S,17R)-17-acetyl-14,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one.
What is the InChI of 14,17-Dihydroxypregn-4-ene-3,20-dione?
The InChI is InChI=1S/C21H30O4/c1-13(22)20(24)10-11-21(25)17-5-4-14-12-15(23)6-8-18(14,2)16(17)7-9-19(20,21)3/h12,16-17,24-25H,4-11H2,1-3H3/t16-,17+,18-,19+,20-,21?/m0/s1.
What is the InChIKey of 14,17-Dihydroxypregn-4-ene-3,20-dione?
The InChIKey is DTYQFBITLYZHTR-HPBCMJTOSA-N.
What is the canonical SMILES of 14,17-Dihydroxypregn-4-ene-3,20-dione?
The canonical SMILES is CC(=O)C1(CCC2(C1(CCC3C2CCC4=CC(=O)CCC34C)C)O)O.
What is the isomeric SMILES of 14,17-Dihydroxypregn-4-ene-3,20-dione?
The isomeric SMILES is CC(=O)[C@]1(CCC2([C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O)O.
What is the XLogP3-AA value of 14,17-Dihydroxypregn-4-ene-3,20-dione?
The XLogP3-AA value is 1.6.
How many hydrogen bond donors does 14,17-Dihydroxypregn-4-ene-3,20-dione have?
It has 2 hydrogen bond donors.
How many hydrogen bond acceptors does 14,17-Dihydroxypregn-4-ene-3,20-dione have?
It has 4 hydrogen bond acceptors.
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