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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP023798

Isofucosterol 3-O-[6-O-(9-Octadecenoyl)-b-D-glucopyranoside]

Formula: C53H90O7  |  Mol. Weight: 839.30 g/mol

IUPAC: [6-[[10,13-dimethyl-17-[(E)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-octadec-9-enoate

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Overview

Molecular Formula C53H90O7
Molecular Weight 839.30 g/mol
Canonical SMILES CCCCCCCCC=CCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCC(=CC)C(C)C)C)C)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy