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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035350

(-)-Thalrugosinone

Formula: C39H42N2O8  |  Mol. Weight: 666.80 g/mol

IUPAC: (3S,22S)-10,11,15,16,27-pentamethoxy-4-methyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.114,18.124,28.03,8.07,12.022,36]hexatriaconta-1(33),7(12),8,10,14(36),15,17,24(35),25,27,30(34),31-dodecaene-21-carbaldehyde

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Overview

Molecular Formula C39H42N2O8
Molecular Weight 666.80 g/mol
Canonical SMILES CN1CCC2=C3C(=C(C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C=O)OC)OC)OC)OC)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy