Structure database (LMSD)

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LM IDLMPR0105050008
Common NameOphiobolin T
Systematic Name-
Synonyms-
Exact Mass
382.2508 (neutral)    Calculate m/z:
FormulaC25H34O3
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC25 isoprenoids (sesterterpenes) [PR0105]
Class Level 4Cheilanthane and ophiobolane sesterterpenoids [PR010505]
PubChem CID73386897
InChIKeyMVOQGQWZPKEXTB-YGMUAOAQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
[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
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StatusActive
ReferencesOphiobolins P-T, five new cytotoxic and antibacterial sesterterpenes from the endolichenic fungus Ulocladium sp.
Fitoterapia, 2013
DOI: 10.1016/j.fitote.2013.08.002
PMID: 23954177
Calculated physicochemical properties (?):
 Heavy Atoms28Rings4Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
404.79Topological Polar
Surface Area
45.44Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
3
 logP5.64Molar
Refractivity
111.73