Molecule

31-Epilolitrem N

AlkaPlorer ID: AK024965

Synonym: '', 'Lolitriol', 'Lolitrem N', '31-Epilolitrem N'

IUPAC Name: (2S,3R,6S,8S,9R,12S,13S,16S,22S,26R)-9,13-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,11,24-trioxa-32-azanonacyclo[16.14.0.02,16.03,13.06,12.010,12.019,31.020,28.022,26]dotriaconta-1(18),19(31),20(28),29-tetraen-27-one

Structure

SMILES: CC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4CC5=C(NC6=CC=C7C(=O)[C@@H]8[C@H](CC7=C56)C(C)(C)OC8(C)C)[C@@]43C)[C@]23OC3[C@@H]1O

InChI: InChI=1S/C37H49NO7/c1-31(2,41)29-27(40)30-37(44-30)23(43-29)12-13-34(7)35(8)17(11-14-36(34,37)42)15-20-24-19-16-21-25(33(5,6)45-32(21,3)4)26(39)18(19)9-10-22(24)38-28(20)35/h9-10,17,21,23,25,27,29-30,38,40-42H,11-16H2,1-8H3/t17-,21-,23-,25-,27+,29-,30?,34+,35+,36-,37-/m0/s1

InChIKey: GIHSQRKLXKCZNX-AHQIXCDGSA-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: 139584640

LOTUS: LTS0023143

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Lolium perenne	Lolium	Poaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 619.7990000000003

TPSA？: 124.54

MolLogP？: 4.518300000000005

Number of H-Donors: 4

Number of H-Acceptors: 7

RingCount: 9

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi