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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005458

(3S,4S,5R,8R,9R,10R,13R,14R,16R,17S)-16-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-4,8,10,14-tetramethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid

Formula: C35H56O8  |  Mol. Weight: 604.80 g/mol

IUPAC: (3S,4S,5R,8R,9R,10R,13R,14R,16R,17S)-16-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-4,8,10,14-tetramethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid

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Overview

Molecular Formula C35H56O8
Molecular Weight 604.80 g/mol
Canonical SMILES CC(=CCCC(=C)C1C2CCC3C4(CCC(C(C4CCC3(C2(CC1OC5C(C(C(O5)CO)O)O)C)C)(C)C(=O)O)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy