[(1S)-2-[(1S,2R,4S,4aR,8aR)-4-hydroxy-4a-(hydroxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate

Modify Date: 2024-01-02 22:35:23

[(1S)-2-[(1S,2R,4S,4aR,8aR)-4-hydroxy-4a-(hydroxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate structure	Common Name	[(1S)-2-[(1S,2R,4S,4aR,8aR)-4-hydroxy-4a-(hydroxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate
	CAS Number	122587-85-3	Molecular Weight	450.56500
	Density	1.22g/cm3	Boiling Point	618.1ºC at 760 mmHg
	Molecular Formula	C₂₅H₃₈O₇	Melting Point	N/A
	MSDS	N/A	Flash Point	204.8ºC

Name	[(1S)-2-[(1S,2R,4S,4aR,8aR)-4-hydroxy-4a-(hydroxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate
Synonym	More Synonyms

Density	1.22g/cm3
Boiling Point	618.1ºC at 760 mmHg
Molecular Formula	C₂₅H₃₈O₇
Molecular Weight	450.56500
Flash Point	204.8ºC
Exact Mass	450.26200
PSA	105.59000
LogP	2.77240
Vapour Pressure	7.31E-18mmHg at 25°C
Index of Refraction	1.554

Precursor 0
DownStream 3
CAS#:123297-97-2 [(1S)-2-[(1S,2R... CAS#:123297-98-3 [(1S)-2-[(1S,2R... CAS#:122587-84-2 ajugamarin F4

Ajugamarin F 1

Butanoic acid,2-methyl-,1-(2,5-dihydro-5-oxo-3-furanyl)-2-(octahydro-8-hydroxy-8a-(hydroxymethyl)-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-5-yl)ethyl ester,(1R-(1alpha,4abeta,5beta(S*(S*)),6alpha,8alpha,8aalpha))

[(1S)-2-[(1S,2R,4S,4aR,8aR)-4-hydroxy-4a-(hydroxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate

Names

Chemical & Physical Properties

Precursor & DownStream

Synonyms