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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009685

(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-acetyloxy-14-methoxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid

Formula: C33H52O5  |  Mol. Weight: 528.80 g/mol

IUPAC: (3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-acetyloxy-14-methoxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid

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Overview

Molecular Formula C33H52O5
Molecular Weight 528.80 g/mol
Canonical SMILES CC1CCC2(CCC3(C(=CC(C4C3(CCC5C4(CCC(C5(C)C(=O)O)OC(=O)C)C)C)OC)C2C1C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy