LIPID MAPS

Structure Database (LMSD)

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Common Name

Ophiobolin S

Systematic Name

Synonyms

LM ID

LMPR0105050007

Formula

C₂₆H₄₀O₅

Exact Mass

Calculate m/z

432.287575

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

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.,
Fitoterapia, 2013

Pubmed ID: 23954177

DOI: 10.1016/j.fitote.2013.08.002

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

Other Databases

PubChem CID

73386896

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

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Created at

23rd Oct 2020

Updated at