5-[(2R,3S)-7-(β-D-Glucopyranosyloxy)-3,4-dihydro-3,5-dihydroxy-2H-1-benzopyran-2-yl]-2-hydroxyphenyl β-D-glucopyranoside

CAS Registry Number®

105330-53-8

CAS Name

5-[(2R,3S)-7-(β-D-Glucopyranosyloxy)-3,4-dihydro-3,5-dihydroxy-2H-1-benzopyran-2-yl]-2-hydroxyphenyl β-D-glucopyranoside

Molecular Formula

C27H34O16

Molecular Mass

614.55

Cite this Page

5-[(2R,3S)-7-(β-D-Glucopyranosyloxy)-3,4-dihydro-3,5-dihydroxy-2H-1-benzopyran-2-yl]-2-hydroxyphenyl β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=105330-53-8 (retrieved 2024-11-08) (CAS RN: 105330-53-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H34O16/c28-7-17-19(33)21(35)23(37)26(42-17)39-10-4-13(31)11-6-14(32)25(40-15(11)5-10)9-1-2-12(30)16(3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-5,14,17-38H,6-8H2/t14-,17+,18+,19+,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1

InChIKey

InChIKey=QTRNMQGMJVCPJM-SAEBQBNLSA-N

SMILES

O[C@@H]1[C@H](OC=2C(C1)=C(O)C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C2)C4=CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=C(O)C=C4

Canonical SMILES

OC1=CC=C(C=C1OC2OC(CO)C(O)C(O)C2O)C3OC4=CC(OC5OC(CO)C(O)C(O)C5O)=CC(O)=C4CC3O

Other Names for this Substance

  • β-D-Glucopyranoside, 5-[(2R,3S)-7-(β-D-glucopyranosyloxy)-3,4-dihydro-3,5-dihydroxy-2H-1-benzopyran-2-yl]-2-hydroxyphenyl
  • β-D-Glucopyranoside, 5-[7-(β-D-glucopyranosyloxy)-3,4-dihydro-3,5-dihydroxy-2H-1-benzopyran-2-yl]-2-hydroxyphenyl, (2R-trans)-
  • 5-[(2R,3S)-7-(β-D-Glucopyranosyloxy)-3,4-dihydro-3,5-dihydroxy-2H-1-benzopyran-2-yl]-2-hydroxyphenyl β-D-glucopyranoside

CAS INSIGHTSTM
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