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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020424

Bakkenolide D

Formula: C21H28O6S  |  Mol. Weight: 408.50 g/mol

IUPAC: [(2R,3R,3aR,4S,7S,7aR)-3-acetyloxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] (Z)-3-methylsulfanylprop-2-enoate

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Overview

Molecular Formula C21H28O6S
Molecular Weight 408.50 g/mol
Canonical SMILES CC1CCC(C2C1(CC3(C2OC(=O)C)C(=C)COC3=O)C)OC(=O)C=CSC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy