Structure Database (LMSD)

Common Name
(3S,20R,23R)-3-O-acetyl-21-oxo-20,23-epoxy lanosta-8,24-diene
Systematic Name
(3S,20R,23R)-3β-acetoxy-21-oxo-20R,23R-epoxy lanosta-8,24-diene
Synonyms
LM ID
LMPR0106050026
Formula
C32H48O5
Exact Mass
Calculate m/z
512.350176
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)
LUSMDQHPAGBVLX-FTSJIVBXSA-N
InChi (Click to copy)
InChI=1S/C32H48O5/c1-18(2)15-20-16-21(28(35)37-20)27-24(34)17-32(8)23-9-10-25-29(4,5)26(36-19(3)33)12-13-30(25,6)22(23)11-14-31(27,32)7/h15,20-21,24-27,34H,9-14,16-17H2,1-8H3/t20-,21+,24+,25-,26-,27-,30+,31+,32-/m0/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@]2([H])C(=O)O[C@@H](/C=C(\C)/C)C2)[C@H](O)C[C@]13C

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 5
Aromatic Rings
Rotatable Bonds 4
Van der Waals Molecular Volume 533.75
Topological Polar Surface Area 74.90
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 7.40
Molar Refractivity 144.94

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