β-D-Glucopyranoside, (3R,3aS,6S,6aR)-dihydro-3,6-bis(4-hydroxy-3-methoxyphenyl)-1H,3H-furo[3,4-c]furan-3a(4H)-yl, 6-[(2S,3E,4S)-3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetate]

CAS Registry Number®

114449-12-6

CAS Name

β-D-Glucopyranoside, (3R,3aS,6S,6aR)-dihydro-3,6-bis(4-hydroxy-3-methoxyphenyl)-1H,3H-furo[3,4-c]furan-3a(4H)-yl, 6-[(2S,3E,4S)-3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetate]

Molecular Formula

C43H54O22

Molecular Mass

922.88

Cite this Page

β-D-Glucopyranoside, (3R,3aS,6S,6aR)-dihydro-3,6-bis(4-hydroxy-3-methoxyphenyl)-1H,3H-furo[3,4-c]furan-3a(4H)-yl, 6-[(2S,3E,4S)-3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=114449-12-6 (retrieved 2024-11-14) (CAS RN: 114449-12-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C43H54O22/c1-5-20-21(22(39(54)57-4)14-60-40(20)64-41-35(52)33(50)31(48)28(13-44)62-41)12-30(47)58-16-29-32(49)34(51)36(53)42(63-29)65-43-17-61-37(18-6-8-24(45)26(10-18)55-2)23(43)15-59-38(43)19-7-9-25(46)27(11-19)56-3/h5-11,14,21,23,28-29,31-38,40-42,44-46,48-53H,12-13,15-17H2,1-4H3

InChIKey

InChIKey=URBPIXMUXQEKHZ-UHFFFAOYSA-N

SMILES

O(C12C(C(OC1)C3=CC(OC)=C(O)C=C3)COC2C4=CC(OC)=C(O)C=C4)C5OC(COC(CC6C(=CC)C(OC7OC(CO)C(O)C(O)C7O)OC=C6C(OC)=O)=O)C(O)C(O)C5O

Canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(=CC)C1CC(=O)OCC3OC(OC45COC(C6=CC=C(O)C(OC)=C6)C5COC4C7=CC=C(O)C(OC)=C7)C(O)C(O)C3O

Other Names for this Substance

  • β-D-Glucopyranoside, (3R,3aS,6S,6aR)-dihydro-3,6-bis(4-hydroxy-3-methoxyphenyl)-1H,3H-furo[3,4-c]furan-3a(4H)-yl, 6-[(2S,3E,4S)-3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetate]
  • β-D-Glucopyranoside, dihydro-3,6-bis(4-hydroxy-3-methoxyphenyl)-1H,3H-furo[3,4-c]furan-3a(4H)-yl, 6-[3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetate], [3R-[3α,3aα(2S*,3E,4S*),6α,6aα]]-
  • 1H,3H-Furo[3,4-c]furan, β-D-glucopyranoside deriv.
  • Sambacolignoside

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