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Substance Name: Phillyrin
RN: 487-41-2
UNII: VE9P4964MG
InChIKey: KFFCKOBAHMGTMW-LGQRSHAYSA-N

Molecular Formula

  • C27-H34-O11

Molecular Weight

  • 534.555
 
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Names and Synonyms

Name of Substance

  • Phillyrin

Synonyms

  • 4-(4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-2-methoxyphenyl, (1S-(1alpha,3aalpha,4beta,6aalpha))-beta-D-glucopyranoside
  • UNII-VE9P4964MG

Systematic Name

  • beta-D-Glucopyranoside, 4-(4-(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-2-methoxyphenyl, (1S-(1alpha,3aalpha,4beta,6aalpha))-

Registry Numbers

CAS Registry Number

  • 487-41-2

FDA UNII

  • VE9P4964MG

System Generated Number

  • 0000487412

Structure Descriptors

InChI

1S/C27H34O11/c1-32-17-6-4-13(8-19(17)33-2)25-15-11-36-26(16(15)12-35-25)14-5-7-18(20(9-14)34-3)37-27-24(31)23(30)22(29)21(10-28)38-27/h4-9,15-16,21-31H,10-12H2,1-3H3/t15-,16-,21+,22+,23-,24+,25-,26+,27+/m0/s1

InChIKey

KFFCKOBAHMGTMW-LGQRSHAYSA-N

Smiles

O[C@H]1[C@@H](O[C@H](CO)[C@H]([C@@H]1O)O)Oc1c(cc(cc1)[C@@H]1[C@@H]2[C@@H]([C@H](c3ccc(c(c3)OC)OC)OC2)CO1)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.050 (none)   EST
Water Solubility 400 mg/L 18 EXP
Atmospheric OH Rate Constant 1.89E-10 cm3/molecule-sec 25 EST

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