Structure Database (LMSD)

H H O O O O OH O OH
Common Name
Ganoweberianic acid A
Systematic Name
25S-15β-hydroxy-3,7,11,23-tetraoxolanosta-8-en-26-oic acid.
Synonyms
LM ID
LMST01010413
Formula
C30H42O7
Exact Mass
Calculate m/z
514.293055
Sum Composition
ST 30:6;O7
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Cholesterol and derivatives [ST0101]

String Representations

InChiKey (Click to copy)
KIJCKCLHIXLFEW-XYLHHUSESA-N
InChi (Click to copy)
InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18,21,23,35H,8-14H2,1-7H3,(H,36,37)/t15-,16+,18-,21+,23-,28+,29-,30+/m1/s1
SMILES (Click to copy)
C1CC(=O)C(C)(C)[C@]2([H])CC(=O)C3=C([C@]21C)C(=O)C[C@]1(C)[C@@]([H])([C@H](C)CC(=O)C[C@@H](C(=O)O)C)C[C@@H](O)[C@]13C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ganoderma weberianum (#34468)
Agaricomycetes (#155619)
Ganoweberianones A and B, Antimalarial Lanostane Dimers from Cultivated Fruiting Bodies of the Basidiomycete Ganoderma weberianum.,
J Nat Prod, 2020
Pubmed ID: 33107297

Other Databases

PubChem CID
156580956

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 4
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 523.81
Topological Polar Surface Area 125.81
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 4.63
Molar Refractivity 136.94

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Created at
28th Oct 2020
Updated at
28th Oct 2020