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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009602

[(E,3S,6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-propanoyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-propan-2-ylhept-4-enyl] triacontanoate

Formula: C62H110O4  |  Mol. Weight: 919.50 g/mol

IUPAC: [(E,3S,6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-propanoyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-propan-2-ylhept-4-enyl] triacontanoate

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Overview

Molecular Formula C62H110O4
Molecular Weight 919.50 g/mol
Canonical SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CC)C)C)C(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy