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Substance Name: Trifloroside
RN: 53823-10-2
InChIKey: RMBMLYUFYBZPCX-XQARLGSBSA-N

Molecular Formula

  • C35-H42-O20

Molecular Weight

  • 782.6968
 
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Names and Synonyms

Results Name

  • Trifloroside

Synonym

  • Trifloroside

Systematic Name

  • Benzoic acid, 3-(beta-D-glucopranosyloxy)-2-hydroxy-, ester with 5-ethenyl-4,4a,5,6-tetrahydro-6-((2,3,6-tri-O-acetyl-beta-D-glucopyranosyl)oxy)-1H,3H-pyrano(3,4-c)pyran-1-one, (4aS-(4aalpha,5beta,6alpha))-

Registry Numbers

CAS Registry Number

  • 53823-10-2

System Generated Number

  • 0053823102

Structure Descriptors

InChI

1S/C35H42O20/c1-5-17-18-9-10-46-31(44)20(18)12-48-33(17)55-35-30(50-16(4)39)29(49-15(3)38)28(23(53-35)13-47-14(2)37)54-32(45)19-7-6-8-21(24(19)40)51-34-27(43)26(42)25(41)22(11-36)52-34/h5-8,12,17-18,22-23,25-30,33-36,40-43H,1,9-11,13H2,2-4H3/t17-,18+,22-,23-,25-,26+,27-,28-,29+,30-,33+,34-,35+/m1/s1

InChIKey

RMBMLYUFYBZPCX-XQARLGSBSA-N

Smiles

CC(=O)OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](CCOC3=O)[C@H]2C=C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)c4cccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c4O