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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012359

calcaratarin A

Formula: C22H36O3  |  Mol. Weight: 348.50 g/mol

IUPAC: (E)-4-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2-(2,2-dimethoxyethyl)but-2-enal

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Overview

Molecular Formula C22H36O3
Molecular Weight 348.50 g/mol
Canonical SMILES CC1(CCCC2(C1CCC(=C)C2CC=C(CC(OC)OC)C=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy