Structure Database (LMSD)

Common Name
Ophiobolin S
Systematic Name
Synonyms
LM ID
LMPR0105050007
Status
Active
Exact Mass
Calculate m/z
432.287575
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)
GIBPHPHOBXYRHB-XUVDCTPNSA-N
InChi (Click to copy)
InChI=1S/C26H40O5/c1-16(7-10-22(31-6)24(2,3)29)18-11-12-25(4)13-20-23(21(28)14-26(20,5)30)17(15-27)8-9-19(18)25/h7-8,10,15-16,18-20,22-23,29-30H,9,11-14H2,1-6H3/b10-7-,17-8-/t16-,18+,19-,20-,22?,23-,25+,26+/m0/s1
SMILES (Click to copy)
[C@@]12([H])C(=O)C[C@](O)(C)[C@@]1([H])C[C@@]1(C)CC[C@]([H])([C@@H](C)/C=C\C(OC)C(C)(O)C)[C@]1([H])CC=C2C=O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
[Ulocladium] sp. (#1914427)
Dothideomycetes (#147541)
Ophiobolins P-T, five new cytotoxic and antibacterial sesterterpenes from the endolichenic fungus Ulocladium sp.
Pubmed ID: 23954177

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 3
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 454.67
Topological Polar Surface Area 83.83
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 4.73
Molar Refractivity 121.86

Admin

Created at
23rd Oct 2020
Updated at
23rd Oct 2020