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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002867

(E)-4-[(1S,2S,17S,19R)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enal

Formula: C33H38O7  |  Mol. Weight: 546.60 g/mol

IUPAC: (E)-4-[(1S,2S,17S,19R)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enal

Overview

Molecular Formula C33H38O7
Molecular Weight 546.60 g/mol
Canonical SMILES CC(=CCC1=C2C(=C(C3=C1OC45C(C3=O)CC6CC4C(OC5(C6=O)CC=C(C)C=O)(C)C)O)C=CC(O2)(C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy