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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP033190

(1S,2S)-2-[2-[(2S,3aR,7bS,11aS,11bR)-6-hydroxy-7b,11,11-trimethyl-5-propan-2-yl-3a,8,9,10,11a,11b-hexahydrophenanthro[9,10-d][1,3]dioxol-2-yl]-5-hydroxy-4-propan-2-ylphenyl]-2,6,6-trimethylcyclohexane-1-carbaldehyde

Formula: C40H56O5  |  Mol. Weight: 616.90 g/mol

IUPAC: (1S,2S)-2-[2-[(2S,3aR,7bS,11aS,11bR)-6-hydroxy-7b,11,11-trimethyl-5-propan-2-yl-3a,8,9,10,11a,11b-hexahydrophenanthro[9,10-d][1,3]dioxol-2-yl]-5-hydroxy-4-propan-2-ylphenyl]-2,6,6-trimethylcyclohexane-1-carbaldehyde

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Overview

Molecular Formula C40H56O5
Molecular Weight 616.90 g/mol
Canonical SMILES CC(C)C1=C(C=C2C(=C1)C3C(C4C2(CCCC4(C)C)C)OC(O3)C5=CC(=C(C=C5C6(CCCC(C6C=O)(C)C)C)O)C(C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy