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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP028241

[(1R,8S,9S,10S)-3,4-dihydroxy-11,11-dimethyl-15-oxo-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-8-yl] (4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate

Formula: C40H52O8  |  Mol. Weight: 660.80 g/mol

IUPAC: [(1R,8S,9S,10S)-3,4-dihydroxy-11,11-dimethyl-15-oxo-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-8-yl] (4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate

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Overview

Molecular Formula C40H52O8
Molecular Weight 660.80 g/mol
Canonical SMILES CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)OC4C5C6C(CCCC6(C7=C(C(=C(C=C47)C(C)C)O)O)C(=O)O5)(C)C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy