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Substance Name: Erythrocentaurin
RN: 50276-98-7
UNII: 295RS6D94V
InChIKey: TUADBWMDDLWUME-UHFFFAOYSA-N

Note

  • Isolated from Centaurium umbellatum Gilib, Enicostemma hyssopifolium & Swertia lawii.

Molecular Weight

  • 176.17
 
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Names and Synonyms

Name of Substance

  • Erythrocentaurin

Synonym

  • UNII-295RS6D94V

Systematic Name

  • 5-Formyl-3,4-dihydroisocoumarin

Registry Numbers

CAS Registry Number

  • 50276-98-7

FDA UNII

  • 295RS6D94V

System Generated Number

  • 0050276987

Structure Descriptors

InChI

1S/C10H8O3/c11-6-7-2-1-3-9-8(7)4-5-13-10(9)12/h1-3,6H,4-5H2

InChIKey

TUADBWMDDLWUME-UHFFFAOYSA-N

Smiles

C1Cc2c(C(O1)=O)cccc2C=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 140.5 deg C   EXP
log P (octanol-water) 0.920 (none)   EST
Atmospheric OH Rate Constant 2.04E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.