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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005326

3-[(3S,4R,5S,6R,7Z,10S)-3-[(4R,4aS,8aR)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-6-methoxy-5,8-dioxo-4a-[(Z)-pentadec-10-enyl]-4,8a-dihydro-1H-naphthalen-2-yl]-4,10-dihydroxy-10-methyl-7-(1-oxopropan-2-ylidene)spiro[4.5]decan-6-yl]propyl (Z)-tetradec-9-enoate

Formula: C66H104O8  |  Mol. Weight: 1025.50 g/mol

IUPAC: 3-[(3S,4R,5S,6R,7Z,10S)-3-[(4R,4aS,8aR)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-6-methoxy-5,8-dioxo-4a-[(Z)-pentadec-10-enyl]-4,8a-dihydro-1H-naphthalen-2-yl]-4,10-dihydroxy-10-methyl-7-(1-oxopropan-2-ylidene)spiro[4.5]decan-6-yl]propyl (Z)-tetradec-9-enoate

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Overview

Molecular Formula C66H104O8
Molecular Weight 1025.50 g/mol
Canonical SMILES CCCCC=CCCCCCCCCCC12C(CC(=CC1C=C(C)CCC=C(C)C)C3CCC4(C3O)C(C(=C(C)C=O)CCC4(C)O)CCCOC(=O)CCCCCCCC=CCCCC)C(=O)C=C(C2=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy