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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP033434

methyl (1R,4aR,5R,7S,7aR)-4a,5,7-trihydroxy-7-methyl-1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

Formula: C17H26O12  |  Mol. Weight: 422.40 g/mol

IUPAC: methyl (1R,4aR,5R,7S,7aR)-4a,5,7-trihydroxy-7-methyl-1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

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Overview

Molecular Formula C17H26O12
Molecular Weight 422.40 g/mol
Canonical SMILES CC1(CC(C2(C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy