LIPID MAPS

Structure Database (LMSD)

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Common Name

Ophiobolin T

Systematic Name

Synonyms

LM ID

LMPR0105050008

Formula

C₂₅H₃₄O₃

Exact Mass

Calculate m/z

382.250795

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)

MVOQGQWZPKEXTB-YGMUAOAQSA-N

InChi (Click to copy)

InChI=1S/C25H34O3/c1-15-12-21(27)23-17(14-26)6-7-20-18(8-11-25(20,5)13-19(15)23)16(2)22-9-10-24(3,4)28-22/h6,9-10,12,14,16,18-20,22-23H,7-8,11,13H2,1-5H3/b17-6-/t16-,18-,19-,20+,22?,23+,25-/m1/s1

SMILES (Click to copy)

[C@@]12([H])C(=O)C=C(C)[C@@]1([H])C[C@@]1(C)CC[C@]([H])([C@@H](C)C3C=CC(C)(C)O3)[C@]1([H])CC=C2C=O

Other Databases

PubChem CID

73386897

Calculated Physicochemical Properties

Heavy Atoms 28

Rings 4

Aromatic Rings 0

Rotatable Bonds 3

Van der Waals Molecular Volume 404.79

Topological Polar Surface Area 45.44

Hydrogen Bond Donors 0

Hydrogen Bond Acceptors 3

logP 5.64

Molar Refractivity 111.73

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Created at

23rd Oct 2020

Updated at