CAS Registry Number®
139891-98-8
CAS Name
3′,6-Disinapoylsucrose
Molecular Formula
C34H42O19
Molecular Mass
754.69
Compound Properties
-
Melting Point (1)
129-130 °C
Source(s)
- (1) Wang, Zhe; Pharmaceutical Research, (2009), 26(5), 1140-1148, CAplus
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
- 3,6′-Disinapoylsucrose ester
- (3-O-Sinapoyl)-β-D-fructofuranosyl-(2→1)-(6-O-sinapoyl)-α-D-glucopyranoside
Deleted or Replaced CAS Registry Numbers
383876-21-9, 1040088-11-6, 1453166-38-5, 1649433-23-7
