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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020227

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

Formula: C40H50O17  |  Mol. Weight: 802.80 g/mol

IUPAC: dimethyl (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-12-acetyloxy-4-hydroxy-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-methyl-7,14-bis[[(E)-2-methylbut-2-enoyl]oxy]-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate

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Overview

Molecular Formula C40H50O17
Molecular Weight 802.80 g/mol
Canonical SMILES CC=C(C)C(=O)OC1CC(C2(COC3C2C14COC(C4C(C3OC(=O)C(=CC)C)(C)C56C7CC(C5(O6)C)C8(C=COC8O7)O)(C(=O)OC)O)C(=O)OC)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy