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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026250

Shizukaol E

Formula: C33H38O8  |  Mol. Weight: 562.60 g/mol

IUPAC: methyl (2Z)-2-[(1R,2S,8S,9R,10S,12R,13S,14S,17S,19R,20S,21R)-9-(acetyloxymethyl)-21-hydroxy-5,13,20-trimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.02,6.02,14.08,13.010,12.017,19.020,24]tetracosa-5,16(24)-dien-23-ylidene]propanoate

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Overview

Molecular Formula C33H38O8
Molecular Weight 562.60 g/mol
Canonical SMILES CC1=C2CC3C(C4CC4C3(C5C2(C6C7=C(C5)C8CC8C7(C(C(=O)C6=C(C)C(=O)OC)O)C)OC1=O)C)COC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy