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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018055

2-[(1S,2S,4S,7R,8R,9S,10S,12S,13S,16R)-7,8,10-triacetyloxy-4,12,13-trihydroxy-5,9-dimethyl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-5-en-2-yl]propan-2-yl benzoate

Formula: C33H42O12  |  Mol. Weight: 630.70 g/mol

IUPAC: 2-[(1S,2S,4S,7R,8R,9S,10S,12S,13S,16R)-7,8,10-triacetyloxy-4,12,13-trihydroxy-5,9-dimethyl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-5-en-2-yl]propan-2-yl benzoate

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Overview

Molecular Formula C33H42O12
Molecular Weight 630.70 g/mol
Canonical SMILES CC1=C2C(C(C3(C(CC(C4(C3C(C2(CC1O)C(C)(C)OC(=O)C5=CC=CC=C5)OC4)O)O)OC(=O)C)C)OC(=O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy