Sesaminol triglucoside

CAS Registry Number®

157469-83-5

CAS Name

Sesaminol triglucoside

Molecular Formula

C38H48O22

Molecular Mass

856.77

Cite this Page

Sesaminol triglucoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=157469-83-5 (retrieved 2024-12-24) (CAS RN: 157469-83-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H48O22/c39-6-22-25(41)28(44)31(47)36(57-22)51-10-24-27(43)30(46)35(60-37-32(48)29(45)26(42)23(7-40)58-37)38(59-24)56-18-5-21-20(54-12-55-21)4-14(18)34-16-9-49-33(15(16)8-50-34)13-1-2-17-19(3-13)53-11-52-17/h1-5,15-16,22-48H,6-12H2/t15-,16-,22+,23+,24+,25+,26+,27+,28-,29-,30-,31+,32+,33+,34+,35+,36+,37-,38+/m0/s1

InChIKey

InChIKey=IJZGFTCXUSMUHI-CMBLSTHZSA-N

SMILES

O(C1=C([C@@H]2[C@@]3([C@](CO2)([C@H](OC3)C=4C=C5C(=CC4)OCO5)[H])[H])C=C6C(=C1)OCO6)[C@H]7[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)O7

Canonical SMILES

OCC1OC(OCC2OC(OC3=CC=4OCOC4C=C3C5OCC6C(OCC56)C7=CC=C8OCOC8=C7)C(OC9OC(CO)C(O)C(O)C9O)C(O)C2O)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, 6-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxol-5-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→6)]-
  • β-D-Glucopyranoside, 6-[4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxol-5-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→6)]-, [1S-(1α,3aα,4α,6aα)]-
  • 1H,3H-Furo[3,4-c]furan, β-D-glucopyranoside deriv.
  • 6-[(1S,3aR,4S,6aR)-4-(1,3-Benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxol-5-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→6)]-β-D-glucopyranoside
  • Sesaminol triglucoside

Deleted or Replaced CAS Registry Numbers

835873-42-2, 153516-62-2, 878209-13-3

CAS INSIGHTSTM
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