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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038477

[(2R,3S,4S,5R)-6-[2-[(1S,2R,4aR,7R)-8-(acetyloxymethyl)-1,2,7-trihydroxy-4a-methyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl]propan-2-yloxy]-4-acetyloxy-2-methyl-5-[(Z)-2-methylbut-2-enoyl]oxyoxan-3-yl] (Z)-2-methylbut-2-enoate

Formula: C35H52O13  |  Mol. Weight: 680.80 g/mol

IUPAC: [(2R,3S,4S,5R)-6-[2-[(1S,2R,4aR,7R)-8-(acetyloxymethyl)-1,2,7-trihydroxy-4a-methyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl]propan-2-yloxy]-4-acetyloxy-2-methyl-5-[(Z)-2-methylbut-2-enoyl]oxyoxan-3-yl] (Z)-2-methylbut-2-enoate

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Overview

Molecular Formula C35H52O13
Molecular Weight 680.80 g/mol
Canonical SMILES CC=C(C)C(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C(=CC)C)OC(C)(C)C2(CCC3(CCC(C(=C3C2O)COC(=O)C)O)C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy