Structure Database (LMSD)
Common Name
22,23-dihydro isocyathisterol
Systematic Name
8β-hydroxyergosta-4,6-diene-3-one
Synonyms
LM ID
LMST01031369
Formula
Exact Mass
Calculate m/z
412.334131
Sum Composition
Status
Curated
3D model of 22,23-dihydro isocyathisterol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Sinoganoderma shandongense
(#2057917)
Agaricomycetes
(#155619)
Steroids from the mushroom Ganoderma shandongense and their AChE inhibitory activities.,
Steroids, 2025
Steroids, 2025
Pubmed ID:
39999915
String Representations
InChiKey (Click to copy)
QZTIXRUINNTAHK-HFYCUKJCSA-N
InChi (Click to copy)
InChI=1S/C28H44O2/c1-18(2)19(3)7-8-20(4)23-9-10-24-27(23,6)15-13-25-26(5)14-12-22(29)17-21(26)11-16-28(24,25)30/h11,16-20,23-25,30H,7-10,12-15H2,1-6H3/t19-,20+,23+,24+,25+,26-,27+,28+/m0/s1
SMILES (Click to copy)
C1CC(=O)C=C2C=C[C@@]3(O)[C@@]4(CC[C@]([H])([C@H](C)CC[C@H](C)C(C)C)[C@@]4(C)CC[C@]3([H])[C@@]12C)[H]
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
4
Aromatic Rings
Rotatable Bonds
5
Van der Waals Molecular Volume
453.18
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
7.02
Molar Refractivity
124.48
Admin
Created at
31st Mar 2025
Updated at
31st Mar 2025