Structure Database (LMSD)

Common Name
3beta,15alpha-dihydroxyl pachymic acid
Systematic Name
3β,15α-hydroxy-7,11,24-triketo-lanost-8-en-21-oic acid
Synonyms
LM ID
LMPR0106050024
Formula
C30H44O7
Exact Mass
Calculate m/z
516.308706
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)
QZANOLRADZBTCF-PNTHHUPRSA-N
InChi (Click to copy)
InChI=1S/C30H44O7/c1-15(2)18(31)9-8-16(26(36)37)17-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)10-11-28(21,5)24(25)20(33)14-29(17,30)6/h15-17,21-23,34-35H,8-14H2,1-7H3,(H,36,37)/t16-,17-,21+,22+,23+,28+,29-,30+/m1/s1
SMILES (Click to copy)
C1C[C@H](O)C(C)(C)[C@]2([H])CC(=O)C3=C([C@]21C)C(=O)C[C@]1(C)[C@@]([H])([C@H](C(O)=O)CCC(=O)C(C)C)C[C@H](O)[C@]13C

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 4
Aromatic Rings
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

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