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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003084

3-[(1R,2R,3S)-2-[2-[(1R,4aR,6S,8aS)-6-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-8a-methyl-2-oxo-1,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]ethyl]-3-hydroxy-2-methylcyclopentyl]-2H-furan-5-one

Formula: C30H46O8  |  Mol. Weight: 534.70 g/mol

IUPAC: 3-[(1R,2R,3S)-2-[2-[(1R,4aR,6S,8aS)-6-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-8a-methyl-2-oxo-1,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]ethyl]-3-hydroxy-2-methylcyclopentyl]-2H-furan-5-one

Overview

Molecular Formula C30H46O8
Molecular Weight 534.70 g/mol
Canonical SMILES CC1C(C(CC(O1)OC2CCC3(C(C2)CCC(=O)C3CCC4(C(CCC4O)C5=CC(=O)OC5)C)C)OC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy