LIPID MAPS

Structure Database (LMSD)

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Common Name

11beta-hydroxyprogesterone

Systematic Name

11β-hydroxypregn-4-ene-3,20-dione

Synonyms

(11beta)-11-hydroxypregn-4-ene-3,20-dione
11beta-Hydroxyprogesterone
21-deoxycorticosterone

LM ID

LMST02030168

Formula

C₂₁H₃₀O₃

Exact Mass

Calculate m/z

330.219495

Sum Composition

ST 21:3;O3

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

BFZHCUBIASXHPK-ATWVFEABSA-N

InChi (Click to copy)

InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18-,19+,20-,21+/m0/s1

SMILES (Click to copy)

C1CC2[C@@](C)([C@@]3([H])[C@@H](O)C[C@@]4([C@H](CC[C@@]4([H])[C@]13[H])C(=O)C)C)CCC(=O)C=2

References

Other Databases

KEGG ID

C05498

CHEBI ID

28247

PubChem CID

101788

Cayman ID

36031

Calculated Physicochemical Properties

Heavy Atoms 24

Rings 4

Aromatic Rings 0

Rotatable Bonds 1

Van der Waals Molecular Volume 340.87

Topological Polar Surface Area 54.37

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 3.98

Molar Refractivity 92.78

Admin

Created at

Updated at

9th Jun 2022