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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004564

(4aR,5R,6aR,6aR,6bR,8aR,10R,12aR,14aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-4a-carboxylic acid

Formula: C41H68O12  |  Mol. Weight: 753.00 g/mol

IUPAC: (4aR,5R,6aR,6aR,6bR,8aR,10R,12aR,14aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-4a-carboxylic acid

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Overview

Molecular Formula C41H68O12
Molecular Weight 753.00 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC6C7CC(CCC7(C(CC6(C5(CCC4C3(C)C)C)C)O)C(=O)O)(C)C)C)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy