ChemicalBook--->CAS DataBase List--->13849-08-6

13849-08-6

13849-08-6 Structure

13849-08-6 Structure
IdentificationBack Directory
[Name]

marmesin
[CAS]

13849-08-6
[Synonyms]

marmesin
NSC 340840
(+)-marmesin
(S)-Marmesin
marmesin USP/EP/BP
S-(+)-Marmesin, >99%
(S)-2-(2-Hydroxypropan-2-yl)-2H-furo[3,2-g]chromen-7(3H)-one
(S)-2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one
[S,(+)]-2,3-Dihydro-2α-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one
7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (2S)-
[Molecular Formula]

C14H14O4
[MOL File]

13849-08-6.mol
[Molecular Weight]

246.26
Chemical PropertiesBack Directory
[Melting point ]

189-191℃
[Boiling point ]

434℃
[density ]

1.334
[Fp ]

168℃
[storage temp. ]

Store at -20°C
[solubility ]

Ethanol:2.0(Max Conc. mg/mL);8.12(Max Conc. mM)
DMSO:50.0(Max Conc. mg/mL);203.04(Max Conc. mM)
[form ]

A crystalline solid
[pka]

14.34±0.29(Predicted)
[color ]

White to off-white
[InChI]

1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m0/s1
[InChIKey]

FWYSBEAFFPBAQU-LBPRGKRZSA-N
[SMILES]

[o]1c2c(cc3c(c2)O[C@@H](C3)C(O)(C)C)cc[c]1=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P330-P302+P352-P321-P304+P340-P305+P351+P338-P332+P313-P362+P364-P337+P313-P403+P233-P405-P501
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Skin Sens. 1
[Hazardous Substances Data]

13849-08-6(Hazardous Substances Data)
Hazard InformationBack Directory
[Chemical Properties]

Colorless prismatic crystals, soluble in organic solvents such as methanol, ethanol, and DMSO. It is derived from the bark of the Rutaceae plant Aegle marmelos Corr., the root of Poncirus trifoliata (L.) Raf., and the root of the Umbelliferae plant Angelica dahurica (Fisch.ex Hoffm.) Benth.et Hook.
[Uses]

(+)-Marmesin is a chemical compound precursor in psoralen and linear furanocoumarins biosynthesis. Has been shown to exhibit anti-diabetic potential.
[Definition]

ChEBI: (+)-marmesin is a marmesin. It is an enantiomer of a nodakenetin.
Spectrum DetailBack Directory
[Spectrum Detail]

marmesin(13849-08-6)1HNMR
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