Structure Database (LMSD)

Common Name
(3,24-dioxo-16alpha-hydroxy-6,8(9)-dien-21-oic acid)-lanostane
Systematic Name
16α-hydroxy-3,24-diketo-lanost-6,8-dien-21-oic acid
Synonyms
LM ID
LMPR0106050025
Formula
C30H44O5
Exact Mass
Calculate m/z
484.318876
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)
QIXVNWSYEODKOB-JMFVFATNSA-N
InChi (Click to copy)
InChI=1S/C30H44O5/c1-17(2)21(31)10-8-18(26(34)35)25-22(32)16-30(7)20-9-11-23-27(3,4)24(33)13-14-28(23,5)19(20)12-15-29(25,30)6/h9,11,17-18,22-23,25,32H,8,10,12-16H2,1-7H3,(H,34,35)/t18-,22-,23+,25+,28-,29-,30+/m1/s1
SMILES (Click to copy)
C1CC(=O)C(C)(C)[C@]2([H])C=CC3=C([C@]21C)CC[C@]1(C)[C@@]([H])([C@H](C(O)=O)CCC(=O)C(C)C)[C@H](O)C[C@]13C

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 4
Aromatic Rings
Rotatable Bonds 6
Van der Waals Molecular Volume 508.87
Topological Polar Surface Area 91.67
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 6.04
Molar Refractivity 136.06

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