Trifloroside

CAS Registry Number®

53823-10-2
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CAS Name

Trifloroside

Molecular Formula

C35H42O20

Molecular Mass

782.70

Cite this Page

Trifloroside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53823-10-2 (retrieved 2024-06-25) (CAS RN: 53823-10-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=RMBMLYUFYBZPCX-XQARLGSBSA-N

SMILES

O(C(=O)C1=C(O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC=C1)[C@H]3[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](O[C@H]4[C@H](C=C)[C@]5(C(=CO4)C(=O)OCC5)[H])O[C@@H]3COC(C)=O

Canonical SMILES

O=C1OCCC2C1=COC(OC3OC(COC(=O)C)C(OC(=O)C=4C=CC=C(OC5OC(CO)C(O)C(O)C5O)C4O)C(OC(=O)C)C3OC(=O)C)C2C=C

Other Names for this Substance

  • 1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-6-[[2,3,6-tri-O-acetyl-4-O-[3-(β-D-glucopyranosyloxy)-2-hydroxybenzoyl]-β-D-glucopyranosyl]oxy]-, (4aS,5R,6S)-
  • Benzoic acid, 3-(β-D-glucopyranosyloxy)-2-hydroxy-, ester with 5-ethenyl-4,4a,5,6-tetrahydro-6-[(2,3,6-tri-O-acetyl-β-D-glucopyranosyl)oxy]-1H,3H-pyrano[3,4-c]pyran-1-one, [4aS-(4aα,5β,6α)]-
  • 1H,3H-Pyrano[3,4-c]pyran, benzoic acid deriv.
  • (4aS,5R,6S)-5-Ethenyl-4,4a,5,6-tetrahydro-6-[[2,3,6-tri-O-acetyl-4-O-[3-(β-D-glucopyranosyloxy)-2-hydroxybenzoyl]-β-D-glucopyranosyl]oxy]-1H,3H-pyrano[3,4-c]pyran-1-one
  • Trifloroside

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