Structure Database (LMSD)

O OH O OH O H H OH O
Common Name
Ganoderic acid A
Systematic Name
(25R)-3,11,23-trioxo-7β,15α-dihydroxy-lanost-8-ene-26-oic acid
Synonyms
LM ID
LMST01010391
Formula
C30H44O7
Exact Mass
Calculate m/z
516.308705
Sum Composition
ST 30:5;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)
DYOKDAQBNHPJFD-JNTBEZBXSA-N
InChi (Click to copy)
InChI=1S/C30H44O7/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/h15-16,18-19,21,23,32,35H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,19+,21+,23+,28+,29-,30+/m1/s1
SMILES (Click to copy)
C(C(=O)C[C@@H](C)C(O)=O)[C@H]([C@]1([H])[C@]2(C)[C@@](C3[C@@H](O)C[C@]4([H])[C@@](CCC([C@@]4(C)C)=O)(C)C=3C(C2)=O)(C)[C@@H](O)C1)C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ganoderma lucidum (#5315)
Agaricomycetes (#155619)
Structures of Ganoderic Acid A and B, Two New Lanostane Type Bitter Triterpenes from Ganoderma lucidum (FR.) KARST.,
Helv Chim Acta, 1982

Other Databases

HMDB ID
HMDB34931
CHEBI ID
168262
PubChem CID
471002

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 4
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 526.45
Topological Polar Surface Area 128.97
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 4.70
Molar Refractivity 138.45

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Created at
-
Updated at
10th Mar 2021