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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011090

Marrubenol

Formula: C20H32O4  |  Mol. Weight: 336.50 g/mol

IUPAC: (1R,3R,4R,4aS,8S,8aS)-4-[2-(furan-3-yl)ethyl]-8-(hydroxymethyl)-3,4a,8-trimethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalene-1,4-diol

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Overview

Molecular Formula C20H32O4
Molecular Weight 336.50 g/mol
Canonical SMILES CC1CC(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)CO)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy