Structure Database (LMSD)

Common Name
Ganodecalone A
Systematic Name
26-hydroxy-5α-lanosta-3,11-dioxo-8,24E-diene
Synonyms
  • 26-hydroxy-lanosta-8,24-dien-3,11-dione
LM ID
LMST01010406
Formula
C30H46O3
Exact Mass
Calculate m/z
454.344695
Sum Composition
ST 30:4;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Cholesterol and derivatives [ST0101]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ganoderma calidophilum (#2026244)
Agaricomycetes (#155619)
Lanostane-type triterpenoids from the fruiting body of Ganoderma calidophilum.,
Phytochemistry, 2017
Pubmed ID: 28800421

String Representations

InChiKey (Click to copy)
BELBTILZAXDXSJ-XKPQIJIDSA-N
InChi (Click to copy)
InChI=1S/C30H46O3/c1-19(18-31)9-8-10-20(2)21-13-16-29(6)22-11-12-24-27(3,4)25(33)14-15-28(24,5)26(22)23(32)17-30(21,29)7/h9,20-21,24,31H,8,10-18H2,1-7H3/b19-9+/t20-,21-,24+,28+,29+,30-/m1/s1
SMILES (Click to copy)
C1CC(=O)C(C)(C)[C@]2([H])CCC3=C([C@]21C)C(=O)C[C@]1(C)[C@@]([H])([C@H](C)CC/C=C(/CO)\C)CC[C@]13C

Other Databases

PubChem CID
139590874

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 493.93
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 7.12
Molar Refractivity 134.17

Admin

Created at
5th Aug 2020
Updated at
28th Oct 2021