Structure Database (LMSD)

Common Name
Pachymic acid
Systematic Name
3β-acetyloxy-16α-hydroxy-24-methylene-lanost-8-en-21-oic acid
Synonyms
  • 3beta-O-acetyl-polyporenic acid-B
  • 3-Acetyltumulosic acid
LM ID
LMPR0106050027
Formula
C33H52O5
Exact Mass
Calculate m/z
528.381476
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)
Metabolic Products of Fungi. XV. Pachymic Acid, a Constituent of"Bukuryo"(Fu Ling ?? ?? ), a Sclerotium of Poria cocos (SCHW.) WOLF.,
Chem Pharm Bull (Tokyo), 1958

String Representations

InChiKey (Click to copy)
VDYCLYGKCGVBHN-DRCQUEPLSA-N
InChi (Click to copy)
InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h19,22,25-28,35H,3,10-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,27+,28+,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)[C@H](O)C[C@]13C

Other Databases

KEGG ID
C17044
CHEBI ID
80885
PubChem CID
5484385

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 4
Aromatic Rings
Rotatable Bonds 8
Van der Waals Molecular Volume 563.41
Topological Polar Surface Area 83.83
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 7.90
Molar Refractivity 151.35

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