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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031427

(2E)-2-[(2R,3R,3aR,5aR,9aS,9bS)-3-[(E,2R)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-2-hydroxy-7-(1-methoxy-2-methyl-1-oxopropan-2-yl)-3a,5a,9b-trimethyl-5-oxo-1,2,3,4,9,9a-hexahydrocyclopenta[a]naphthalen-6-ylidene]acetic acid

Formula: C33H46O10  |  Mol. Weight: 602.70 g/mol

IUPAC: (2E)-2-[(2R,3R,3aR,5aR,9aS,9bS)-3-[(E,2R)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-2-hydroxy-7-(1-methoxy-2-methyl-1-oxopropan-2-yl)-3a,5a,9b-trimethyl-5-oxo-1,2,3,4,9,9a-hexahydrocyclopenta[a]naphthalen-6-ylidene]acetic acid

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Overview

Molecular Formula C33H46O10
Molecular Weight 602.70 g/mol
Canonical SMILES CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C(C3=CC(=O)O)C(C)(C)C(=O)OC)C)C)C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy