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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP028946

6,7,25,26,32-Pentahydroxy-5,24,31-trimethyl-20-pentyl-33-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,4,9,21,23,28,30-heptaoxatetracyclo[27.3.1.03,8.022,27]tritriacontan-10-one

Formula: C40H70O18  |  Mol. Weight: 839.00 g/mol

IUPAC: 6,7,25,26,32-pentahydroxy-5,24,31-trimethyl-20-pentyl-33-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,4,9,21,23,28,30-heptaoxatetracyclo[27.3.1.03,8.022,27]tritriacontan-10-one

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Overview

Molecular Formula C40H70O18
Molecular Weight 839.00 g/mol
Canonical SMILES CCCCCC1CCCCCCCCCC(=O)OC2C(C(C(OC2OC3C(C(OC(C3OC4C(C(C(C(O4)C)O)O)O)OC5C(C(C(OC5O1)C)O)O)C)O)C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy