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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038651

[33-(5-Acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl)oxy-6,25,26,32-tetrahydroxy-5,24,31-trimethyl-10-oxo-20-propyl-2,4,9,21,23,28,30-heptaoxatetracyclo[27.3.1.03,8.022,27]tritriacontan-7-yl] 3-hydroxy-2-methylbutanoate

Formula: C45H76O21  |  Mol. Weight: 953.10 g/mol

IUPAC: [33-(5-acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl)oxy-6,25,26,32-tetrahydroxy-5,24,31-trimethyl-10-oxo-20-propyl-2,4,9,21,23,28,30-heptaoxatetracyclo[27.3.1.03,8.022,27]tritriacontan-7-yl] 3-hydroxy-2-methylbutanoate

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Overview

Molecular Formula C45H76O21
Molecular Weight 953.10 g/mol
Canonical SMILES CCCC1CCCCCCCCCC(=O)OC2C(C(C(OC2OC3C(C(OC(C3OC4C(C(C(C(O4)C)OC(=O)C)O)O)OC5C(C(C(OC5O1)C)O)O)C)O)C)O)OC(=O)C(C)C(C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy