LIPID MAPS

Structure Database (LMSD)

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Common Name

Polyporusterone G

Systematic Name

2β,3β,14α,22R-tetrahydroxy-5β-ergosta-7,24(28)-dien-6-one

Synonyms

LM ID

LMST01031303

Formula

C₂₈H₄₄O₅

Exact Mass

Calculate m/z

460.318875

Sum Composition

ST 28:3;O5

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

JUHSHQMSDLSJCS-ZYEVRCEJSA-N

InChi (Click to copy)

InChI=1S/C28H44O5/c1-15(2)16(3)11-22(29)17(4)18-8-10-28(33)20-12-23(30)21-13-24(31)25(32)14-26(21,5)19(20)7-9-27(18,28)6/h12,15,17-19,21-22,24-25,29,31-33H,3,7-11,13-14H2,1-2,4-6H3/t17-,18+,19-,21-,22+,24+,25-,26+,27+,28+/m0/s1

SMILES (Click to copy)

C12=CC(=O)[C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@H](C)[C@H](O)CC(=C)C(C)C)CC[C@@]21O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Polyporus umbellatus (#158314)

Agaricomycetes (#155619)

Studies on constituents of fruit body of Polyporus umbellatus and their cytotoxic activity.,
Chem Pharm Bull (Tokyo), 1992

Pubmed ID: 1576664

Other Databases

CHEBI ID

175656

PubChem CID

44449940

Calculated Physicochemical Properties

Heavy Atoms 33

Rings 4

Aromatic Rings

Rotatable Bonds 5

Van der Waals Molecular Volume 479.55

Topological Polar Surface Area 97.99

Hydrogen Bond Donors 4

Hydrogen Bond Acceptors 5

logP 4.94

Molar Refractivity 130.25

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Created at

21st Nov 2022

Updated at