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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013119

methyl (1S,4S,5R,6S,7S,8R,11R,12R,14S,15S)-12-acetyloxy-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-14-[(E)-3-phenylprop-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4-carboxylate

Formula: C38H44O14  |  Mol. Weight: 724.70 g/mol

IUPAC: methyl (1S,4S,5R,6S,7S,8R,11R,12R,14S,15S)-12-acetyloxy-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-14-[(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 C38H44O14
Molecular Weight 724.70 g/mol
Canonical SMILES CC(=O)OC1CC(C23COC(C2C(C(C4C3C1(CO4)C)O)(C)C56C7CC(C5(O6)C)C8(C=COC8O7)O)(C(=O)OC)O)OC(=O)C=CC9=CC=CC=C9

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy