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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018401

(1R,2S,6R,7R,8S,11R,12R)-2,6,8,12-tetrahydroxy-3,11-dimethyl-4-propan-2-yl-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-13-oxatetracyclo[5.5.3.02,6.08,12]pentadec-3-en-14-one

Formula: C26H40O12  |  Mol. Weight: 544.60 g/mol

IUPAC: (1R,2S,6R,7R,8S,11R,12R)-2,6,8,12-tetrahydroxy-3,11-dimethyl-4-propan-2-yl-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-13-oxatetracyclo[5.5.3.02,6.08,12]pentadec-3-en-14-one

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Overview

Molecular Formula C26H40O12
Molecular Weight 544.60 g/mol
Canonical SMILES CC1CCC2(C1(C3C4(C(=C(CC4(C2(CC(=O)O3)COC5C(C(C(C(O5)CO)O)O)O)O)C(C)C)C)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy