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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017215

[(4aS,9S,10R,10aS)-6-acetyloxy-10-[[(4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-yl]oxy]-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] acetate

Formula: C44H60O5  |  Mol. Weight: 668.90 g/mol

IUPAC: [(4aS,9S,10R,10aS)-6-acetyloxy-10-[[(4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-yl]oxy]-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] acetate

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Overview

Molecular Formula C44H60O5
Molecular Weight 668.90 g/mol
Canonical SMILES CC(C)C1=C(C=C2C(=C1)C=CC3C2(CCCC3(C)C)C)OC4C(C5=CC(=C(C=C5C6(C4C(CCC6)(C)C)C)OC(=O)C)C(C)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy