3′,6-Disinapoylsucrose

CAS Registry Number®

139891-98-8

CAS Name

3′,6-Disinapoylsucrose

Molecular Formula

C34H42O19

Molecular Mass

754.69

Cite this Page

3′,6-Disinapoylsucrose.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=139891-98-8 (retrieved 2024-11-25) (CAS RN: 139891-98-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    129-130 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C34H42O19/c1-45-18-9-16(10-19(46-2)26(18)39)5-7-24(37)49-14-23-28(41)30(43)31(44)33(50-23)53-34(15-36)32(29(42)22(13-35)52-34)51-25(38)8-6-17-11-20(47-3)27(40)21(12-17)48-4/h5-12,22-23,28-33,35-36,39-44H,13-15H2,1-4H3/b7-5+,8-6+/t22-,23-,28-,29-,30+,31-,32+,33-,34+/m1/s1

InChIKey

InChIKey=FHIJMQWMMZEFBL-OPSYHMPNSA-N

SMILES

O([C@@]1(CO)[C@@H](OC(/C=C/C2=CC(OC)=C(O)C(OC)=C2)=O)[C@H](O)[C@@H](CO)O1)[C@H]3O[C@H](COC(/C=C/C4=CC(OC)=C(O)C(OC)=C4)=O)[C@@H](O)[C@H](O)[C@H]3O

Canonical SMILES

O=C(OCC1OC(OC2(OC(CO)C(O)C2OC(=O)C=CC3=CC(OC)=C(O)C(OC)=C3)CO)C(O)C(O)C1O)C=CC4=CC(OC)=C(O)C(OC)=C4

Other Names for this Substance

  • α-D-Glucopyranoside, 3-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-fructofuranosyl, 6-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate]
  • α-D-Glucopyranoside, 3-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-fructofuranosyl, 6-[3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate], [1(E),6(E)]-
  • α-D-Glucopyranoside, 3-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-fructofuranosyl, 6-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate]
  • β-D-(3-O-Sinapoyl)-fructofuranosyl-(2→1)-α-D-[6-O-sinapoyl]-glucopyranoside
  • 3′,6-Disinapoylsucrose

View All

Deleted or Replaced CAS Registry Numbers

383876-21-9, 1040088-11-6, 1453166-38-5, 1649433-23-7

CAS INSIGHTSTM
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