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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038595

[(2S,3R,4S,5R)-2-[[(1R,3aR,5aS,5bR,7aR,9S,11aR,11bR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]oxy]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hexadecanoate

Formula: C51H86O6  |  Mol. Weight: 795.20 g/mol

IUPAC: [(2S,3R,4S,5R)-2-[[(1R,3aR,5aS,5bR,7aR,9S,11aR,11bR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]oxy]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hexadecanoate

Overview

Molecular Formula C51H86O6
Molecular Weight 795.20 g/mol
Canonical SMILES CCCCCCCCCCCCCCCC(=O)OC1C(C(OC1OC2CCC3(C(C2(C)C)CCC4(C3CC=C5C4(CCC6(C5C(CC6)C(=C)C)C)C)C)C)CO)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy