Structure Database (LMSD)
Common Name
Pericinone A
Systematic Name
12β-15α-dihydroxy-3-oxo-lanosta-8,24-diene
Synonyms
3D model of Pericinone A
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
Level 4 Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Periconia sp.
(#1756127)
Dothideomycetes
(#147541)
Two new lanostane-type triterpenoids from the fungus Periconia sp. TJ403-rc01,
Nat Prod Res, 2021
Nat Prod Res, 2021
Pubmed ID:
34726089
String Representations
InChiKey (Click to copy)
ATOOQSPBGOMWAR-YYPDEHINSA-N
InChi (Click to copy)
InChI=1S/C30H48O3/c1-18(2)10-9-11-19(3)21-16-25(32)29(7)20-12-13-23-27(4,5)24(31)14-15-28(23,6)22(20)17-26(33)30(21,29)8/h10,19,21,23,25-26,32-33H,9,11-17H2,1-8H3/t19-,21-,23+,25+,26-,28-,29-,30+/m1/s1
SMILES (Click to copy)
C1CC(=O)C(C)(C)[C@]2([H])CCC3=C([C@]21C)C[C@@H](O)[C@]1(C)[C@@]([H])([C@H](C)CC/C=C(/C)\C)C[C@H](O)[C@]13C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
33
Rings
4
Aromatic Rings
Rotatable Bonds
4
Van der Waals Molecular Volume
496.57
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
7.20
Molar Refractivity
135.68
Admin
Created at
15th Nov 2021
Updated at
15th Nov 2021