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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037740

Isoterchebulin

Formula: C48H28O30  |  Mol. Weight: 1084.70 g/mol

IUPAC: (10R,11S,28R,31R)-3,4,5,16,17,18,21,22,23,29,37,38,39,43,55,56-hexadecahydroxy-9,12,27,30,33,41,47,52-octaoxaundecacyclo[46.6.2.02,7.010,31.011,28.014,19.020,25.035,40.042,51.045,50.049,54]hexapentaconta-1(55),2,4,6,14,16,18,20,22,24,35,37,39,42,44,48(56),49(54),50-octadecaene-8,13,26,34,46,53-hexone

Overview

Molecular Formula C48H28O30
Molecular Weight 1084.70 g/mol
Canonical SMILES C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C8C9=C7C(=O)OC2=C9C(=CC(=C2OC2=C(C(=C(C=C2C(=O)O1)O)O)O)O)C(=O)O8)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy