Structure Database (LMSD)

Common Name
Ganoderic acid B
Systematic Name
(25R)-11,15,23-trioxo-3β,7β-dihydroxy-lanost-8-ene-26-oic acid
Synonyms
  • 11,15,23-trioxo-3beta,7beta-dihydroxy-lanost-8-ene-26-oic acid
LM ID
LMST01010392
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

Classification

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

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

String Representations

InChiKey (Click to copy)
LWPLEHFGBRFRKI-NBCWKOIPSA-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/h15-16,18-19,21-22,32,34H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,19+,21+,22+,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@@](CC[C@@H]([C@@]4(C)C)O)(C)C=3C(C2)=O)(C)C(=O)C1)C

Other Databases

HMDB ID
HMDB35719
CHEBI ID
168663
PubChem CID
471003

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

Admin

Created at
-
Updated at
10th Mar 2021