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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013421

Methylacetyleucalyptanoate

Formula: C33H50O4  |  Mol. Weight: 510.70 g/mol

IUPAC: methyl (4aS,6aR,6bS,8aR,10S,12aS,14bR)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicene-4a-carboxylate

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Overview

Molecular Formula C33H50O4
Molecular Weight 510.70 g/mol
Canonical SMILES CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2=CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)OC)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy