N-Methyltiliamosine

AlkaPlorer ID: AK068826

Synonym: "N'-Methyltiliamosine"

IUPAC Name: (8S,21S)-16,26,27-trimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25(33),26,28(32)-dodecaen-13-ol

Structure

SMILES: COC1=CC=C2C=C1C1=C(O)C=CC(=C1)C[C@H]1C3=C(C=C4OC5=C(OC)C(OC)=C6CCN(C)[C@@H](C2)C6=C5OC4=C3)CCN1C

copy

InChI: InChI=1S/C37H38N2O6/c1-38-12-10-22-18-31-32-19-24(22)27(38)16-20-6-8-29(40)25(14-20)26-15-21(7-9-30(26)41-3)17-28-33-23(11-13-39(28)2)34(42-4)36(43-5)37(45-31)35(33)44-32/h6-9,14-15,18-19,27-28,40H,10-13,16-17H2,1-5H3/t27-,28-/m0/s1

copy

InChIKey: DRFKGEXJGBDLKF-NSOVKSMOSA-N

copy

Source

Properties Information

Molecule Weight: 606.7190000000002

TPSA: 72.86

MolLogP: 6.839800000000007

Number of H-Donors: 1

Number of H-Acceptors: 8

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information