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20,21-Epoxy-19-norpregna-1(10),2,4-triene-3,17-diol

HCID 124174
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Basic information

CAS
102651-47-8
Standard SMILES
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)[C@H]1CO1
InChIKey
DVZRZZJKBCUJGQ-BOQPXBONSA-N
Molecular formula
C20H26O3
Average molar mass
314.425 g/mol
Monoisotopic mass
314.18819469

Names & identifiers

Preferred name
20,21-Epoxy-19-norpregna-1(10),2,4-triene-3,17-diol
IUPAC
17alpha-20,21-Epoxy-19-norpregna-1(10),2,4-triene-3,17-diol
English name
3,17-dihydroxy-20,21-epoxy-19-norpregna-1,3,5(10)-triene
Molecular formula
C20H26O3
Molecular weight
314.42

Names & synonyms

3,17-dihydroxy-20,21-epoxy-19-norpregna-1,3,5(10)-triene19-Norpregna-1,3,5(10)-triene-3,17-diol, 20,21-epoxy-, (17α,20R)-

Database identifiers

CAS
102651-47-8
PubChem CID
124174
DTXSID
DTXSID30907972
ChEMBL
CHEMBL1627359

Properties

Physicochemical properties

Boiling point
504.4 · 504.4±50.0 °C(Predicted)
Density
1.262 · 1.262±0.06 g/cm3(Predicted)
pka
10.26 · 10.26±0.60(Predicted)

Related reactions

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