Structure Database (LMSD)

Common Name
14R-carboxyl eburicoic acid acetate
Systematic Name
3β-acetoxy-24-methylene-8-lanostene-14,21-dioic acid
Synonyms
LM ID
LMPR0106050022
Formula
C33H50O6
Exact Mass
Calculate m/z
542.360741
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
Wolfiporia cocos (#81056)
Agaricomycetes (#155619)
Five new lanostane-type triterpenoids from Poria cocos and their in vitro anti-asthmatic activity.,
Fitoterapia, 2025
Pubmed ID: 41106788

String Representations

InChiKey (Click to copy)
VYHORNFNNCJMIA-SWQXDQEHSA-N
InChi (Click to copy)
InChI=1S/C33H50O6/c1-19(2)20(3)9-10-22(28(35)36)23-14-18-33(29(37)38)25-11-12-26-30(5,6)27(39-21(4)34)15-16-31(26,7)24(25)13-17-32(23,33)8/h19,22-23,26-27H,3,9-18H2,1-2,4-8H3,(H,35,36)(H,37,38)/t22-,23-,26+,27+,31-,32-,33+/m1/s1
SMILES (Click to copy)
C1C[C@H](OC(=O)C)C(C)(C)[C@]2([H])CCC3=C([C@]21C)CC[C@]1(C)[C@@]([H])([C@H](C(O)=O)CCC(=C)C(C)C)CC[C@]13C(=O)O

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 4
Aromatic Rings
Rotatable Bonds 9
Van der Waals Molecular Volume 569.56
Topological Polar Surface Area 100.90
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 7.71
Molar Refractivity 151.41

Admin

Created at
24th Oct 2025
Updated at
27th Oct 2025