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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013245

lupulin A

Formula: C30H46O11  |  Mol. Weight: 582.70 g/mol

IUPAC: [(1R,2S,3R,4aR,5S,6R,8S,8aR)-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5-[(2S,5R)-5-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl]-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-methylbutanoate

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Overview

Molecular Formula C30H46O11
Molecular Weight 582.70 g/mol
Canonical SMILES CCC(C)C(=O)OC1C(CC2C(C(CC(C2(C13CO3)COC(=O)C)OC(=O)C)C)(C)C4CC5CC(OC5O4)OC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy