LIPID MAPS

Structure Database (LMSD)

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Common Name

3beta-Allotetrahydrocorticosterone

Systematic Name

3β,11β,21-trihydroxy-5α-pregnan-20-one

Synonyms

3beta,5alpha-Tetrahydrocorticosterone

LM ID

LMST02030341

Formula

C₂₁H₃₄O₄

Exact Mass

Calculate m/z

350.245711

Sum Composition

ST 21:1;O4

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View spectra on LIPID MAPS Standard Spectra DB

Classification

String Representations

InChiKey (Click to copy)

RHQQHZQUAMFINJ-GKWSUJDHSA-N

InChi (Click to copy)

InChI=1S/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13-,14-,15-,16+,17-,19+,20-,21-/m0/s1

SMILES (Click to copy)

C1C[C@]2([H])[C@]([C@@]3([H])[C@@H](O)C[C@@]4(C)[C@@]([H])(CC[C@@]4(C(=O)CO)[H])[C@]13[H])(C)CC[C@H](O)C2

Other Databases

PubChem CID

11530409

Calculated Physicochemical Properties

Heavy Atoms 25

Rings 4

Aromatic Rings

Rotatable Bonds 2

Van der Waals Molecular Volume 354.94

Topological Polar Surface Area 77.76

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 3.40

Molar Refractivity 96.22

Admin

Created at

8th Dec 2025

Updated at