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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018410

[(1R,3R,4R,5R,6R,8S,10S,12S,13S,16R,18S,21R)-8-hydroxy-4,6,12,17,17-pentamethyl-8-(2-methylpropanoyl)-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-3-yl] acetate

Formula: C37H58O10  |  Mol. Weight: 662.80 g/mol

IUPAC: [(1R,3R,4R,5R,6R,8S,10S,12S,13S,16R,18S,21R)-8-hydroxy-4,6,12,17,17-pentamethyl-8-(2-methylpropanoyl)-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-3-yl] acetate

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Overview

Molecular Formula C37H58O10
Molecular Weight 662.80 g/mol
Canonical SMILES CC1CC(OC2C1C3(C(CC45CC46CCC(C(C6CCC5C3(C2)C)(C)C)OC7C(C(C(CO7)O)O)O)OC(=O)C)C)(C(=O)C(C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy