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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009678

(2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethyl-19-[(1S,2S,4S)-1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl]nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one

Formula: C40H58O5  |  Mol. Weight: 618.90 g/mol

IUPAC: (2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethyl-19-[(1S,2S,4S)-1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl]nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one

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Overview

Molecular Formula C40H58O5
Molecular Weight 618.90 g/mol
Canonical SMILES CC(=CC=CC=C(C)C=CC=C(C)C=CC1(C(CC(CC1(C)O)O)(C)C)O)C=CC=C(C)C=CC(=O)C2(CC(CC2(C)C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy