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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013259

methyl (1S,4S,5R,6S,7S,8R,11R,12R,14S,15S)-4,7-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6,11-dimethyl-12,14-bis[[(E)-3-phenylprop-2-enoyl]oxy]-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4-carboxylate

Formula: C45H48O14  |  Mol. Weight: 812.90 g/mol

IUPAC: methyl (1S,4S,5R,6S,7S,8R,11R,12R,14S,15S)-4,7-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6,11-dimethyl-12,14-bis[[(E)-3-phenylprop-2-enoyl]oxy]-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4-carboxylate

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Overview

Molecular Formula C45H48O14
Molecular Weight 812.90 g/mol
Canonical SMILES CC12COC3C1C4(COC(C4C(C3O)(C)C56C7CC(C5(O6)C)C8(C=COC8O7)O)(C(=O)OC)O)C(CC2OC(=O)C=CC9=CC=CC=C9)OC(=O)C=CC1=CC=CC=C1

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy