LIPID MAPS

Structure Database (LMSD)

Common Name

Ergostanol

Systematic Name

5α-ergostan-3β-ol

Synonyms

LM ID

LMST01030102

Status

Active

Exact Mass

Calculate m/z

402.386165

Formula

C₂₈H₅₀O

Abbrev

ST 28:0;O

Show lipids differing only in stereochemistry/bond geometry

Download as...

MDLMOL SDF CSV TSV

MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)

ARYTXMNEANMLMU-OZEQXKMUSA-N

InChi (Click to copy)

InChI=1S/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20+,21-,22-,23-,24+,25-,26-,27-,28+/m0/s1

SMILES (Click to copy)

C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@H](C)C(C)C)CC[C@@]4([H])[C@]3([H])CC[C@@]2([H])C[C@@H](O)C1

References

Other Databases

CHEBI ID

172988

LIPIDBANK ID

SST9085

PubChem CID

5283641

Calculated Physicochemical Properties

Heavy Atoms 29

Rings 4

Aromatic Rings 0

Rotatable Bonds 5

Van der Waals Molecular Volume 452.31

Topological Polar Surface Area 20.23

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 1

logP 8.00

Molar Refractivity 124.14

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