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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036255

Bis(gorgiacerol)amine

Formula: C42H47NO12  |  Mol. Weight: 757.80 g/mol

IUPAC: methyl (2R,3R,7S,8R,9R)-8-hydroxy-7-[[(2R,3R,7S,8R,9R)-8-hydroxy-12-methoxycarbonyl-5-oxo-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-1(13),6(15),11-trien-7-yl]amino]-5-oxo-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-1(13),6(15),11-triene-12-carboxylate

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Overview

Molecular Formula C42H47NO12
Molecular Weight 757.80 g/mol
Canonical SMILES CC(=C)C1CC2=C(C=C(O2)C(C3C=C(C(C1O)NC4C(C(CC5=C(C=C(O5)C(C6C=C4C(=O)O6)C(=C)C)C(=O)OC)C(=C)C)O)C(=O)O3)C(=C)C)C(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy