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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039357

(1R,5R,6S,9S,10R,11R,15R)-9,10,11,15-tetrahydroxy-1,6,12-trimethyl-13-[(2S)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-4-oxatetracyclo[7.6.0.05,10.011,15]pentadec-12-en-3-one

Formula: C26H40O12  |  Mol. Weight: 544.60 g/mol

IUPAC: (1R,5R,6S,9S,10R,11R,15R)-9,10,11,15-tetrahydroxy-1,6,12-trimethyl-13-[(2S)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-4-oxatetracyclo[7.6.0.05,10.011,15]pentadec-12-en-3-one

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Overview

Molecular Formula C26H40O12
Molecular Weight 544.60 g/mol
Canonical SMILES CC1CCC2(C3(CC(=O)OC1C2(C4(C3(CC(=C4C)C(C)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy