LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

Ophiobolin R

Systematic Name

Synonyms

LM ID

LMPR0105050004

Formula

C₂₆H₃₈O₄

Exact Mass

Calculate m/z

414.27701

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.

Pubmed ID: 23954177

String Representations

InChiKey (Click to copy)

VDDDNUHBNZDCIZ-KKWBKKBKSA-N

InChi (Click to copy)

InChI=1S/C26H38O4/c1-16(7-10-23(30-6)25(3,4)29)19-11-12-26(5)14-20-17(2)13-22(28)24(20)18(15-27)8-9-21(19)26/h7-8,10,13,15-16,19-21,23-24,29H,9,11-12,14H2,1-6H3/b10-7-,18-8-/t16-,19+,20+,21-,23?,24-,26+/m0/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)/C=C\C(OC)C(C)(O)C)[C@]1([H])CC=C2C=O

Other Databases

PubChem CID

73386895

Calculated Physicochemical Properties

Heavy Atoms 30

Rings 3

Aromatic Rings 0

Rotatable Bonds 6

Van der Waals Molecular Volume 443.24

Topological Polar Surface Area 63.60

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 4

logP 5.25

Molar Refractivity 119.87

Admin

Created at

23rd Oct 2020

Updated at