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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025996

(1S,3R,8R,9R,10S)-8-benzoyl-3-(2-hydroxypropan-2-yl)-9-methyl-6,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione

Formula: C38H50O5  |  Mol. Weight: 586.80 g/mol

IUPAC: (1S,3R,8R,9R,10S)-8-benzoyl-3-(2-hydroxypropan-2-yl)-9-methyl-6,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione

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Overview

Molecular Formula C38H50O5
Molecular Weight 586.80 g/mol
Canonical SMILES CC(=CCCC1(C(CC23CC(OC2=C(C(=O)C1(C3=O)C(=O)C4=CC=CC=C4)CC=C(C)C)C(C)(C)O)CC=C(C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy