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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034536

[(1R)-1-[(1R,2R,3R,4S,7R,8R,15R,17S,19S)-15-(cyclopropanecarbonyloxy)-8-(furan-3-yl)-1,3,7-trimethyl-19-[(E)-2-methylbut-2-enoyl]oxy-10-oxo-9,16-dioxapentacyclo[13.3.1.03,17.04,13.07,12]nonadeca-11,13-dien-2-yl]-2-methoxy-2-oxoethyl] cyclopropanecarboxylate

Formula: C40H46O12  |  Mol. Weight: 718.80 g/mol

IUPAC: [(1R)-1-[(1R,2R,3R,4S,7R,8R,15R,17S,19S)-15-(cyclopropanecarbonyloxy)-8-(furan-3-yl)-1,3,7-trimethyl-19-[(E)-2-methylbut-2-enoyl]oxy-10-oxo-9,16-dioxapentacyclo[13.3.1.03,17.04,13.07,12]nonadeca-11,13-dien-2-yl]-2-methoxy-2-oxoethyl] cyclopropanecarboxylate

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Overview

Molecular Formula C40H46O12
Molecular Weight 718.80 g/mol
Canonical SMILES CC=C(C)C(=O)OC1C2(CC3C(C2C(C(=O)OC)OC(=O)C4CC4)(C5CCC6(C(OC(=O)C=C6C5=CC1(O3)OC(=O)C7CC7)C8=COC=C8)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy