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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011351

[(2R,3S,4S,5R,6R)-6-[[(8S,9S,10R,13R,14S,17R)-17-[(E,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-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 hexadecanoate

Formula: C51H88O7  |  Mol. Weight: 813.20 g/mol

IUPAC: [(2R,3S,4S,5R,6R)-6-[[(8S,9S,10R,13R,14S,17R)-17-[(E,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-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 hexadecanoate

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Overview

Molecular Formula C51H88O7
Molecular Weight 813.20 g/mol
Canonical SMILES CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)C=CC(CC)C(C)C)C)C)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy