Structure Database (LMSD)

Common Name
Dehydroeburicoic Acid
Systematic Name
3β-hydroxy-24-methylene-lanosta-7,9(11)-dien-21-oic acid
Synonyms
LM ID
LMPR0106050029
Formula
C31H48O3
Exact Mass
Calculate m/z
468.360346
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C30 isoprenoids (triterpenes) [PR0106]
Lanostane triterpenoids [PR010605]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Laricifomes officinalis (#270279)
Agaricomycetes (#155619)
Zur struktur der “agaricolsäure”,
Tetrahedron Letts, 1967

String Representations

InChiKey (Click to copy)
ONFPYGOMAADWAT-OXUZYLMNSA-N
InChi (Click to copy)
InChI=1S/C31H48O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h11,14,19,21-22,25-26,32H,3,9-10,12-13,15-18H2,1-2,4-8H3,(H,33,34)/t21-,22-,25+,26+,29-,30-,31+/m1/s1
SMILES (Click to copy)
C1C[C@H](O)C(C)(C)[C@]2([H])CC=C3C([C@]21C)=CC[C@]1(C)[C@@]([H])([C@H](C(O)=O)CCC(=C)C(C)C)CC[C@]13C

Other Databases

KEGG ID
C16950
CHEBI ID
80817
PubChem CID
15250826

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings
Rotatable Bonds 6
Van der Waals Molecular Volume 511.23
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 7.85
Molar Refractivity 139.81

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Created at
27th Oct 2025
Updated at
27th Oct 2025