1-Benzopyrylium, 2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-5-hydroxy-3-[[6-O-[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-7-[[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-

CAS Registry Number®

139610-20-1
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CAS Name

1-Benzopyrylium, 2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-5-hydroxy-3-[[6-O-[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-7-[[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-

Molecular Formula

C61H71O34

Cite this Page

1-Benzopyrylium, 2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-5-hydroxy-3-[[6-O-[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-7-[[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=139610-20-1 (retrieved 2024-05-18) (CAS RN: 139610-20-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C61H70O34/c1-81-32-11-23(12-33(82-2)43(32)67)5-9-41(65)85-20-38-46(70)50(74)53(77)58(93-38)87-22-40-48(72)52(76)56(80)61(95-40)91-36-18-27-29(64)16-26(17-30(27)89-57(36)25-7-8-28(63)31(15-25)90-60-55(79)49(73)45(69)37(19-62)92-60)88-59-54(78)51(75)47(71)39(94-59)21-86-42(66)10-6-24-13-34(83-3)44(68)35(14-24)84-4/h5-18,37-40,45-56,58-62,69-80H,19-22H2,1-4H3,(H3-,63,64,65,66,67,68)/p+1

InChIKey

InChIKey=XGIATRRVWDRDPO-UHFFFAOYSA-O

SMILES

O(C=1C(=[O+]C2=C(C1)C(O)=CC(OC3OC(COC(C=CC4=CC(OC)=C(O)C(OC)=C4)=O)C(O)C(O)C3O)=C2)C5=CC(OC6OC(CO)C(O)C(O)C6O)=C(O)C=C5)C7OC(COC8OC(COC(C=CC9=CC(OC)=C(O)C(OC)=C9)=O)C(O)C(O)C8O)C(O)C(O)C7O

Canonical SMILES

O=C(OCC1OC(OC=2C=C(O)C=3C=C(OC4OC(COC5OC(COC(=O)C=CC6=CC(OC)=C(O)C(OC)=C6)C(O)C(O)C5O)C(O)C(O)C4O)C(=[O+]C3C2)C=7C=CC(O)=C(OC8OC(CO)C(O)C(O)C8O)C7)C(O)C(O)C1O)C=CC9=CC(OC)=C(O)C(OC)=C9

Other Names for this Substance

  • 1-Benzopyrylium, 2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-5-hydroxy-3-[[6-O-[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-7-[[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-
  • 1-Benzopyrylium, 2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-5-hydroxy-3-[[6-O-[6-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-7-[[6-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-, (E,E)-
  • Alatanin B

CAS INSIGHTSTM
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