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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009355

(E)-1-[(1R,2R,11S)-14-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-7,9,15-trihydroxy-3,3,8,19,19-pentamethyl-16-[(E)-3-phenylprop-2-enoyl]-4,12,18-trioxapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-5(10),6,8,13(21),14,16-hexaen-6-yl]-3-phenylprop-2-en-1-one

Formula: C51H48O12  |  Mol. Weight: 852.90 g/mol

IUPAC: (E)-1-[(1R,2R,11S)-14-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-7,9,15-trihydroxy-3,3,8,19,19-pentamethyl-16-[(E)-3-phenylprop-2-enoyl]-4,12,18-trioxapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-5(10),6,8,13(21),14,16-hexaen-6-yl]-3-phenylprop-2-en-1-one

Overview

Molecular Formula C51H48O12
Molecular Weight 852.90 g/mol
Canonical SMILES CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C(=C3C4=C2OC5C(C4CC(O3)(C)C)C(OC6=C5C(=C(C(=C6C(=O)C=CC7=CC=CC=C7)O)C)O)(C)C)C(=O)C=CC8=CC=CC=C8)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy