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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007561

(1R,3R,6S,8R,10R,13R,14R)-3,6-dihydroxy-5,5,14-trimethyl-9-methylidene-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.03,8]hexadecan-4-one

Formula: C26H40O9  |  Mol. Weight: 496.60 g/mol

IUPAC: (1R,3R,6S,8R,10R,13R,14R)-3,6-dihydroxy-5,5,14-trimethyl-9-methylidene-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.03,8]hexadecan-4-one

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Overview

Molecular Formula C26H40O9
Molecular Weight 496.60 g/mol
Canonical SMILES CC1(C(CC2C(=C)C3CCC4CC3(CC4(C)OC5C(C(C(C(O5)CO)O)O)O)CC2(C1=O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy