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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009002

(1R,2S)-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,2R)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,3,3-trimethylcyclohexane-1,2-diol

Formula: C40H60O4  |  Mol. Weight: 604.90 g/mol

IUPAC: (1R,2S)-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,2R)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,3,3-trimethylcyclohexane-1,2-diol

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Overview

Molecular Formula C40H60O4
Molecular Weight 604.90 g/mol
Canonical SMILES CC(=CC=CC=C(C)C=CC=C(C)C=CC1(C(CCCC1(C)O)(C)C)O)C=CC=C(C)C=CC2(C(CCCC2(C)O)(C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy