Molecule

Lolitrem F

AlkaPlorer ID: AK398254

Synonym: None

IUPAC Name: 22-hydroxy-1,10,10,12,12,30,30,36-octamethyl-28-(2-methylprop-1-enyl)-11,24,27,29,32-pentaoxa-3-azadecacyclo[17.17.0.02,17.04,16.07,15.09,13.022,36.023,25.023,33.026,31]hexatriaconta-2(17),4(16),5,7(15)-tetraen-8-one

Structure

SMILES: CC(C)=CC1OC2C(OC3CCC4(C)C5(C)C6=C(CC5CCC4(O)C34OC24)C2=C3CC4C(C(=O)C3=CC=C2N6)C(C)(C)OC4(C)C)C(C)(C)O1

InChI: InChI=1S/C42H55NO7/c1-20(2)17-28-47-32-34(38(7,8)48-28)46-27-14-15-39(9)40(10)21(13-16-41(39,45)42(27)35(32)49-42)18-24-29-23-19-25-30(37(5,6)50-36(25,3)4)31(44)22(23)11-12-26(29)43-33(24)40/h11-12,17,21,25,27-28,30,32,34-35,43,45H,13-16,18-19H2,1-10H3

InChIKey: HGBZMCXKHKZYBF-UHFFFAOYSA-N

Reference

Isolation of Lolicine A, Lolicine B, Lolitriol, and Lolitrem N from Lolium perenne Infected with Neotyphodium lolii and Evidence for the Natural Occurrence of 31-Epilolitrem N and 31-Epilolitrem F

PubChem CID: 73150453

LOTUS: LTS0085347

COCONUT: CNP0280944.3

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Epichloe festucae	Epichloe	Clavicipitaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 685.902

TPSA？: 102.54

MolLogP？: 6.872800000000008

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 10

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi