CAS 85447-27-4|Ajugamarin chlorohydrin

Introduction：Basic information about CAS 85447-27-4|Ajugamarin chlorohydrin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Synonyms

Common Name	Ajugamarin chlorohydrin
CAS Number	85447-27-4	Molecular Weight	585.083
Density	1.3±0.1 g/cm3	Boiling Point	687.4±55.0 °C at 760 mmHg
Molecular Formula	C₂₉H₄₁ClO₁₀	Melting Point	/
MSDS	/	Flash Point	369.5±31.5 °C

Names

Name	Ajugamarin chlorohydrin
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.3±0.1 g/cm3
Boiling Point	687.4±55.0 °C at 760 mmHg
Molecular Formula	C₂₉H₄₁ClO₁₀
Molecular Weight	585.083
Flash Point	369.5±31.5 °C
Exact Mass	584.238831
LogP	3.35
Vapour Pressure	0.0±4.9 mmHg at 25°C
Index of Refraction	1.550
InChIKey	CWWDVANTGWQWKM-UHFFFAOYSA-N
SMILES	CC=C(C)C(=O)OC1CCC(O)(CCl)C2(COC(C)=O)C(OC(C)=O)CC(C)C(C)(CC(O)C3=CC(=O)OC3)C12

Synonyms

ajugamarin A1 chlorohydrin

(1R,4R,4aR,5S,7R,8S,8aR)-5-Acetoxy-4a-(acetoxymethyl)-4-(chloromethyl)-4-hydroxy-8-[(2S)-2-hydroxy-2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]-7,8-dimethyldecahydro-1-naphthalenyl (2E)-2-methyl-2-butenoate

2-Butenoic acid, 2-methyl-, (1R,4R,4aR,5S,7R,8S,8aR)-5-(acetyloxy)-4a-[(acetyloxy)methyl]-4-(chloromethyl)-8-[(2S)-2-(2,5-dihydro-5-oxo-3-furanyl)-2-hydroxyethyl]decahydro-4-hydroxy-7,8-dimethyl-1-naphthalenyl ester, (2E)-

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