LIPID MAPS

Structure Database (LMSD)

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Common Name

Cyathisterone

Systematic Name

5-α-ergosta-7,22-diene-3,6-dione

Synonyms

LM ID

LMST01031373

Formula

C₂₈H₄₂O₂

Exact Mass

Calculate m/z

410.318481

Sum Composition

ST 28:4;O2

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Calvatia cyathiformis (#195951)

Agaricomycetes (#155619)

Steroids from Calvatia cyathiformis,
Phytochemistry, 1994

DOI: 10.1016/0031-9422(94)85028-3

String Representations

InChiKey (Click to copy)

AGFWEYQAOQMEEO-KRGQBHGKSA-N

InChi (Click to copy)

InChI=1S/C28H42O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,16-19,22-25H,9-15H2,1-6H3/b8-7+/t18-,19+,22+,23-,24-,25+,27+,28+/m0/s1

SMILES (Click to copy)

C1CC(=O)C[C@]2([H])C(=O)C=C3[C@@]4(CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]4(C)CC[C@]3([H])[C@@]12C)[H]

Other Databases

CHEBI ID

70016

PubChem CID

70698238

Calculated Physicochemical Properties

Heavy Atoms 30

Rings 4

Aromatic Rings

Rotatable Bonds 4

Van der Waals Molecular Volume 450.54

Topological Polar Surface Area 34.14

Hydrogen Bond Donors

Hydrogen Bond Acceptors 2

logP 6.80

Molar Refractivity 122.90

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Created at

1st Apr 2025

Updated at