Structure Database (LMSD)

Common Name
3beta,15alpha,16alpha-triacetoxy dehydroeburicoic acid
Systematic Name
3β,15α,16α-triacetoxy-24-methylene-lanosta-7,9(11)-dien-21-oic acid
Synonyms
LM ID
LMPR0106050023
Formula
C37H54O8
Exact Mass
Calculate m/z
626.381871
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)
KJXOSSJJWMOIFA-BZVVCASWSA-N
InChi (Click to copy)
InChI=1S/C37H54O8/c1-20(2)21(3)12-13-25(33(41)42)30-31(44-23(5)39)32(45-24(6)40)37(11)27-14-15-28-34(7,8)29(43-22(4)38)17-18-35(28,9)26(27)16-19-36(30,37)10/h14,16,20,25,28-32H,3,12-13,15,17-19H2,1-2,4-11H3,(H,41,42)/t25-,28+,29+,30+,31+,32+,35-,36-,37-/m1/s1
SMILES (Click to copy)
C1C[C@H](OC(=O)C)C(C)(C)[C@]2([H])CC=C3C([C@]21C)=CC[C@]1(C)[C@@]([H])([C@H](C(O)=O)CCC(=C)C(C)C)[C@H](OC(=O)C)[C@H](OC(C)=O)[C@]13C

Calculated Physicochemical Properties

Heavy Atoms 45
Rings 4
Aromatic Rings
Rotatable Bonds 12
Van der Waals Molecular Volume 651.06
Topological Polar Surface Area 116.20
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
logP 8.08
Molar Refractivity 172.25

Admin

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