Structure Database (LMSD)

Common Name
Penicildione A
Systematic Name
9β,11β-epoxy-16α-methylandrosta-4-ene-3,17-dione
Synonyms
LM ID
LMST02020119
Status
Active
Exact Mass
Calculate m/z
314.188195
Formula
Abbrev


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)
TVYYXYDIDNZNPW-OIWVYXPTSA-N
InChi (Click to copy)
InChI=1S/C20H26O3/c1-11-8-15-14-5-4-12-9-13(21)6-7-19(12,3)20(14)16(23-20)10-18(15,2)17(11)22/h9,11,14-16H,4-8,10H2,1-3H3/t11-,14+,15+,16+,18+,19+,20-/m1/s1
SMILES (Click to copy)
C1CC2[C@@](C)([C@]34O[C@H]3C[C@@]3(C([C@H](C)C[C@@]3([H])[C@]14[H])=O)C)CCC(=O)C=2

References

Reference
Four new steroids from the marine soft coral-derived fungus Penicillium sp. SCSIO41201.
Chin J Nat Med, 2020
DOI: 10.1016/s1875-5364(20)30030-3
PMID: 32402400

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Penicillium sp. (#5081)
Eurotiomycetes (#147545)
Arthriniumsteroids A-D, four new steroids from the soft coral-derived fungus Simplicillium lanosoniveum SCSIO41212.,
Steroids, 2021
Pubmed ID: 33836206

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 5
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 311.21
Topological Polar Surface Area 46.67
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 4.04
Molar Refractivity 86.79

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Created at
20th Apr 2021
Updated at
20th Oct 2021