Natsudaidain 3-O-β-D-glucoside

CAS Registry Number®

98891-93-1

CAS Name

Natsudaidain 3-O-β-D-glucoside

Molecular Formula

C27H32O14

Molecular Mass

580.53

Cite this Page

Natsudaidain 3-O-β-D-glucoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=98891-93-1 (retrieved 2025-01-07) (CAS RN: 98891-93-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H32O14/c1-33-12-8-7-11(9-13(12)34-2)20-23(41-27-19(32)18(31)16(29)14(10-28)39-27)17(30)15-21(35-3)24(36-4)26(38-6)25(37-5)22(15)40-20/h7-9,14,16,18-19,27-29,31-32H,10H2,1-6H3/t14-,16-,18+,19-,27+/m1/s1

InChIKey

InChIKey=MSTIUVOQDAVXIA-SHNDPLGISA-N

SMILES

O(C)C1=C2C(=C(OC)C(OC)=C1OC)OC(=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C2=O)C4=CC(OC)=C(OC)C=C4

Canonical SMILES

O=C1C(OC2OC(CO)C(O)C(O)C2O)=C(OC3=C(OC)C(OC)=C(OC)C(OC)=C13)C=4C=CC(OC)=C(OC)C4

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3-(β-D-glucopyranosyloxy)-5,6,7,8-tetramethoxy-
  • 2-(3,4-Dimethoxyphenyl)-3-(β-D-glucopyranosyloxy)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
  • Natsudaidain 3-O-β-D-glucoside

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