3-[[6-O-(2-Carboxyacetyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-[4-hydroxy-3,5-bis[[6-O-[(2E)-3-[4-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-2-yl]-β-D-glucopyranosyl]oxy]phenyl]-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]phenyl]-1-benzopyrylium

CAS Registry Number®

125292-49-1

CAS Name

3-[[6-O-(2-Carboxyacetyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-[4-hydroxy-3,5-bis[[6-O-[(2E)-3-[4-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-2-yl]-β-D-glucopyranosyl]oxy]phenyl]-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]phenyl]-1-benzopyrylium

Molecular Formula

C84H87O43

Molecular Mass

1784.57

Cite this Page

3-[[6-O-(2-Carboxyacetyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-[4-hydroxy-3,5-bis[[6-O-[(2E)-3-[4-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-2-yl]-β-D-glucopyranosyl]oxy]phenyl]-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]phenyl]-1-benzopyrylium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=125292-49-1 (retrieved 2025-08-16) (CAS RN: 125292-49-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C84H86O43/c85-41-13-1-36(2-14-41)9-21-58(91)112-31-52-64(97)69(102)74(107)80(123-52)117-44-17-5-38(6-18-44)11-23-60(93)114-33-54-66(99)71(104)76(109)82(125-54)120-49-25-40(79-51(29-46-47(88)27-43(87)28-48(46)119-79)122-84-78(111)73(106)68(101)56(127-84)35-116-62(95)30-57(89)90)26-50(63(49)96)121-83-77(110)72(105)67(100)55(126-83)34-115-61(94)24-12-39-7-19-45(20-8-39)118-81-75(108)70(103)65(98)53(124-81)32-113-59(92)22-10-37-3-15-42(86)16-4-37/h1-29,52-56,64-78,80-84,97-111H,30-35H2,(H5-,85,86,87,88,89,90,91,92,96)/p+1

InChIKey

InChIKey=BXNSJSZTRNGMSP-UHFFFAOYSA-O

SMILES

O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(OC4OC(COC(C=CC5=CC=C(OC6OC(COC(C=CC7=CC=C(O)C=C7)=O)C(O)C(O)C6O)C=C5)=O)C(O)C(O)C4O)=C(O)C(OC8OC(COC(C=CC9=CC=C(OC%10OC(COC(C=CC%11=CC=C(O)C=C%11)=O)C(O)C(O)C%10O)C=C9)=O)C(O)C(O)C8O)=C3)C%12OC(COC(CC(O)=O)=O)C(O)C(O)C%12O

Canonical SMILES

O=C(O)CC(=O)OCC1OC(OC2=CC=3C(O)=CC(O)=CC3[O+]=C2C=4C=C(OC5OC(COC(=O)C=CC6=CC=C(OC7OC(COC(=O)C=CC8=CC=C(O)C=C8)C(O)C(O)C7O)C=C6)C(O)C(O)C5O)C(O)=C(OC9OC(COC(=O)C=CC%10=CC=C(OC%11OC(COC(=O)C=CC%12=CC=C(O)C=C%12)C(O)C(O)C%11O)C=C%10)C(O)C(O)C9O)C4)C(O)C(O)C1O

Other Names for this Substance

  • 1-Benzopyrylium, 3-[[6-O-(2-carboxyacetyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-[4-hydroxy-3,5-bis[[6-O-[(2E)-3-[4-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-2-yl]-β-D-glucopyranosyl]oxy]phenyl]-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]phenyl]-
  • 1-Benzopyrylium, 3-[[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-[4-hydroxy-3,5-bis[[6-O-[3-[4-[[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]phenyl]-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]phenyl]-, (all-E)-
  • 1-Benzopyrylium, 3-[[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-[4-hydroxy-3,5-bis[[6-O-[(2E)-3-[4-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]phenyl]-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]phenyl]-
  • 3-[[6-O-(2-Carboxyacetyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-[4-hydroxy-3,5-bis[[6-O-[(2E)-3-[4-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-2-yl]-β-D-glucopyranosyl]oxy]phenyl]-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]phenyl]-1-benzopyrylium
  • Ternatin D 1

Deleted or Replaced CAS Registry Numbers

126188-86-1

CAS INSIGHTSTM
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