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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006678

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

Formula: C33H42O14  |  Mol. Weight: 662.70 g/mol

IUPAC: dimethyl (1S,5R,6S,7S,8R,11S,12R,14R,15R)-7,14-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-3-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6-methyl-12-[(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 C33H42O14
Molecular Weight 662.70 g/mol
Canonical SMILES CC=C(C)C(=O)OC1CC(C23COC(C2C(C(C4C3C1(CO4)C(=O)OC)O)(C)C56C7CC(C5(O6)C)C8C(O7)OC=C8O)C(=O)OC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy