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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009492

[(2R,3S,4S,5R,6S)-6-[[(3S,8R,9S,10R,13R,14S,17R)-17-[(2R)-5-ethyl-6-methylheptan-2-yl]-10,13,14-trimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-methylbutanoate

Formula: C41H70O7  |  Mol. Weight: 675.00 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-6-[[(3S,8R,9S,10R,13R,14S,17R)-17-[(2R)-5-ethyl-6-methylheptan-2-yl]-10,13,14-trimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-methylbutanoate

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Overview

Molecular Formula C41H70O7
Molecular Weight 675.00 g/mol
Canonical SMILES CCC(CCC(C)C1CCC2(C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)COC(=O)CC(C)C)O)O)O)C)C)C)C(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy