ChemicalBook--->CAS DataBase List--->5875-49-0

5875-49-0

5875-49-0 Structure

5875-49-0 Structure
IdentificationBack Directory
[Name]

(-)-8-[(S)-2,3-Dihydroxy-3-methylbutyl]-7-methoxy-2H-1-benzopyran-2-one
[CAS]

5875-49-0
[Synonyms]

Merancin hyrate
Merancin hydrate
Meranzin hydrate
(-)-Merancin hydrate
(-)-Meranzin hydrate
2H-1-Benzopyran-2-one, 8-[(2S)-2,3-dihydroxy-3-methylbutyl]-7-methoxy-
(-)-8-[(S)-2,3-Dihydroxy-3-methylbutyl]-7-methoxy-2H-1-benzopyran-2-one
[Molecular Formula]

C15H18O5
[MDL Number]

MFCD18974714
[MOL File]

5875-49-0.mol
[Molecular Weight]

278.3
Chemical PropertiesBack Directory
[Melting point ]

130-131 °C(Solv: ethyl ether (60-29-7))
[Boiling point ]

500.5±50.0 °C(Predicted)
[density ]

1.271±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
[form ]

Powder
[pka]

14.46±0.20(Predicted)
[color ]

White to off-white
[Optical Rotation]

[α]/D -32.0 to -26.0°, c =0.11 in chloroform
[InChI]

InChI=1S/C15H18O5/c1-15(2,18)12(16)8-10-11(19-3)6-4-9-5-7-13(17)20-14(9)10/h4-7,12,16,18H,8H2,1-3H3/t12-/m0/s1
[InChIKey]

KGGUASRIGLRPAX-LBPRGKRZSA-N
[SMILES]

C1(=O)OC2=C(C[C@H](O)C(O)(C)C)C(OC)=CC=C2C=C1
[LogP]

0.610 (est)
Safety DataBack Directory
[Symbol(GHS) ]

Environment (GHS09)
GHS09
[Signal word ]

Warning
[Hazard statements ]

H410
[Precautionary statements ]

P273-P501
[Hazard Codes ]

N
[Risk Statements ]

50
[Safety Statements ]

61
[RIDADR ]

UN 3077 9 / PGIII
[WGK Germany ]

3
Hazard InformationBack Directory
[Uses]

metabolomics
vitamins, nutraceuticals, and natural products
[target]

Adrenergic Receptor | ERK
[storage]

Store at 2-8°C, protect from light
Spectrum DetailBack Directory
[Spectrum Detail]

(-)-8-[(S)-2,3-Dihydroxy-3-methylbutyl]-7-methoxy-2H-1-benzopyran-2-one(5875-49-0)1HNMR
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