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17,20-dihydroxypregn-4-en-3-one (CHEBI:36726)

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ChEBI Name 17,20-dihydroxypregn-4-en-3-one
ChEBI ID CHEBI:36726
Last Modified 25 October 2006
Stars This entity has been manually annotated by the ChEBI Team.

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InChI
InChI=1/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13?,16-,17+,18+,19+,20+,21+/m1/s1
InChIKey
InChIKey=MASCESDECGBIBB-JAKCRWNRBS
SMILES
[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(C)O
Formula Source
C21H32O3 ChEBI
Charge 0
Mass 332.47698
ChEBI Ontology
Tree view
Outgoing 17,20-dihydroxypregn-4-en-3-one (CHEBI:36726) has parent hydride pregnane (CHEBI:8386)
Incoming (20R)-17,20-dihydroxypregn-4-en-3-one (CHEBI:36723) is a 17,20-dihydroxypregn-4-en-3-one (CHEBI:36726)
(20S)-17,20-dihydroxypregn-4-en-3-one (CHEBI:16418) is a 17,20-dihydroxypregn-4-en-3-one (CHEBI:36726)
IUPAC Name
17,20-dihydroxypregn-4-en-3-one
Registry Number Type Source
5083960 Beilstein Registry Number Beilstein

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