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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000228

[(1R,3R,4R,5R,7S,8R,9R,10E,12S,13S,14S)-4-acetyloxy-13-hydroxy-8-methoxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl] (Z)-2-methylbut-2-enoate

Formula: C28H40O8  |  Mol. Weight: 504.60 g/mol

IUPAC: [(1R,3R,4R,5R,7S,8R,9R,10E,12S,13S,14S)-4-acetyloxy-13-hydroxy-8-methoxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl] (Z)-2-methylbut-2-enoate

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Overview

Molecular Formula C28H40O8
Molecular Weight 504.60 g/mol
Canonical SMILES CC=C(C)C(=O)OC1C(C2C(C2(C)C)C(C(C(=O)C34CC(C(C3(O4)C=C1C)O)C)C)OC(=O)C)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy