Structure Database (LMSD)
Common Name
Pericinone B
Systematic Name
12β-acetoxy-15α-hydroxy-3-oxo-lanosta-8,24-diene
Synonyms
3D model of Pericinone B
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)
QRKWDTMRCRSWIE-HYHBAPGLSA-N
InChi (Click to copy)
InChI=1S/C32H50O4/c1-19(2)11-10-12-20(3)23-17-27(35)31(8)22-13-14-25-29(5,6)26(34)15-16-30(25,7)24(22)18-28(32(23,31)9)36-21(4)33/h11,20,23,25,27-28,35H,10,12-18H2,1-9H3/t20-,23-,25+,27+,28-,30-,31-,32+/m1/s1
SMILES (Click to copy)
C1CC(=O)C(C)(C)[C@]2([H])CCC3=C([C@]21C)C[C@@H](OC(C)=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
36
Rings
4
Aromatic Rings
Rotatable Bonds
6
Van der Waals Molecular Volume
537.32
Topological Polar Surface Area
63.60
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
7.77
Molar Refractivity
145.23
Admin
Created at
15th Nov 2021
Updated at
15th Nov 2021