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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039290

(1R,8R,9S,13S)-8-(hydroxymethyl)-12-methylidene-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,14-dioxatetracyclo[6.5.1.01,5.09,13]tetradeca-4,6-dien-3-one

Formula: C21H26O10  |  Mol. Weight: 438.40 g/mol

IUPAC: (1R,8R,9S,13S)-8-(hydroxymethyl)-12-methylidene-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,14-dioxatetracyclo[6.5.1.01,5.09,13]tetradeca-4,6-dien-3-one

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Overview

Molecular Formula C21H26O10
Molecular Weight 438.40 g/mol
Canonical SMILES C=C1CCC2C1C34C(=C(C(=O)O3)COC5C(C(C(C(O5)CO)O)O)O)C=CC2(O4)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy