[(2S,4R,5R,6R,7R,11R,14S,16S)-5-acetyloxy-16-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] acetate

CAS: 4189-91-7

Molecular Formula	`C28H36O8`
Molecular Weight	500.6 g/mol
LogP	2.7
Topological Polar Surface Area	112.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	500.24103
Heavy Atoms	36
Complexity	1080.0

Chemical Identifiers

CAS Number	4189-91-7
SMILES	`CC(=O)OC1CCC2(C3CCC4(C(C(C5C4(C3CCC2(C1)O)O5)OC(=O)C)C6=COC(=O)C=C6)C)C`
InChIKey	`OASAOOVBBYOWMZ-PPGSBRBXSA-N`

📖 Product Overview

[(2S,4R,5R,6R,7R,11R,14S,16S)-5-acetyloxy-16-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] acetate (CAS: 4189-91-7) is a chemical compound with molecular formula C28H36O8 and molecular weight 500.6 g/mol. Its IUPAC systematic name is [(2S,4R,5R,6R,7R,11R,14S,16S)-5-acetyloxy-16-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] acetate. LogP 2.7 Topological Polar Surface Area 112.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 8 Rotatable Bonds 5 Exact Mass 500.24103 Heavy Atoms 36 Complexity 1080.0 InChI Key: OASAOOVBBYOWMZ-PPGSBRBXSA-N. SMILES: CC(=O)OC1CCC2(C3CCC4(C(C(C5C4(C3CCC2(C1)O)O5)OC(=O)C)C6=COC(=O)C=C6)C)C.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [(2S,4R,5R,6R,7R,11R,14S,16S)-5-acetyloxy-16-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] acetate.

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