Structure Database (LMSD)

Common Name
Pericinone B
Systematic Name
12β-acetoxy-15α-hydroxy-3-oxo-lanosta-8,24-diene
Synonyms
LM ID
LMPR0106050010
Status
Active
Exact Mass
Calculate m/z
498.37091
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

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
Pubmed ID: 34726089

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