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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009939

4-(5,16,24-Trihydroxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13(28),15(27),16,18,22,25-dodecaen-17-yl)-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaene-5,16,24-triol

Formula: C56H46O8  |  Mol. Weight: 847.00 g/mol

IUPAC: 4-(5,16,24-trihydroxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13(28),15(27),16,18,22,25-dodecaen-17-yl)-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaene-5,16,24-triol

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Overview

Molecular Formula C56H46O8
Molecular Weight 847.00 g/mol
Canonical SMILES C1CC2=CC(=C(C=C2C3=C(C=C(CCC4=CC(=C(C=C4)O)OC5=CC=C1C=C5)C=C3)O)C6=C(C7=CC(=C6)CCC8=CC(=C(C=C8)C9=C(CCC1=CC=C(O7)C=C1)C=C(C=C9)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy