Vanicoside B

CAS Registry Number®

155179-21-8

CAS Name

Vanicoside B

Molecular Formula

C49H48O20

Molecular Mass

956.89

Cite this Page

Vanicoside B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=155179-21-8 (retrieved 2024-11-25) (CAS RN: 155179-21-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    157-159 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C49H48O20/c1-62-36-24-31(8-19-35(36)53)12-22-40(55)63-25-37-43(58)45(60)46(61)48(66-37)69-49(27-65-41(56)21-10-29-4-15-33(51)16-5-29)47(67-42(57)23-11-30-6-17-34(52)18-7-30)44(59)38(68-49)26-64-39(54)20-9-28-2-13-32(50)14-3-28/h2-24,37-38,43-48,50-53,58-61H,25-27H2,1H3/b20-9+,21-10+,22-12+,23-11+/t37-,38-,43-,44-,45+,46-,47+,48-,49+/m1/s1

InChIKey

InChIKey=ALSDWGAQQGXOHC-PWYSLETCSA-N

SMILES

O([C@@]1(COC(/C=C/C2=CC=C(O)C=C2)=O)[C@@H](OC(/C=C/C3=CC=C(O)C=C3)=O)[C@H](O)[C@@H](COC(/C=C/C4=CC=C(O)C=C4)=O)O1)[C@H]5O[C@H](COC(/C=C/C6=CC(OC)=C(O)C=C6)=O)[C@@H](O)[C@H](O)[C@H]5O

Canonical SMILES

O=C(OCC1OC(OC2(OC(COC(=O)C=CC3=CC=C(O)C=C3)C(O)C2OC(=O)C=CC4=CC=C(O)C=C4)COC(=O)C=CC5=CC=C(O)C=C5)C(O)C(O)C1O)C=CC6=CC=C(O)C(OC)=C6

Other Names for this Substance

  • α-D-Glucopyranoside, 1,3,6-tris-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-fructofuranosyl, 6-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate]
  • α-D-Glucopyranoside, 1,3,6-tris-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-fructofuranosyl, 6-[3-(4-hydroxy-3-methoxyphenyl)-2-propenoate], [1[1(E),3(E),6(E)],6(E)]-
  • α-D-Glucopyranoside, 1,3,6-tris-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-fructofuranosyl, 6-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate]
  • Vanicoside B

CAS INSIGHTSTM
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