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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017278

firmianone B

Formula: C36H38O12  |  Mol. Weight: 662.70 g/mol

IUPAC: (2S,10S,11S,15R)-2,7,11,24-tetrahydroxy-10-[(E)-3-hydroxy-3-methylbut-1-enyl]-13-methyl-17-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexacyclo[14.8.0.02,11.03,8.010,15.018,23]tetracosa-1(24),3(8),4,6,13,16,18,20,22-nonaen-9-one

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Overview

Molecular Formula C36H38O12
Molecular Weight 662.70 g/mol
Canonical SMILES CC1=CC2C3=C(C4=CC=CC=C4C(=C3C5(C6=C(C(=CC=C6)O)C(=O)C2(C5(C1)O)C=CC(C)(C)O)O)O)OC7C(C(C(C(O7)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy