Isoschaftoside

CAS Registry Number®

52012-29-0

CAS Name

Isoschaftoside

Molecular Formula

C26H28O14

Molecular Mass

564.49

Cite this Page

Isoschaftoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=76491-12-8 (retrieved 2024-11-23) (CAS RN: 52012-29-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1

InChIKey

InChIKey=OVMFOVNOXASTPA-VYUBKLCTSA-N

SMILES

OC=1C(=C2C(=C(O)C1[C@H]3[C@H](O)[C@@H](O)[C@@H](O)CO3)C(=O)C=C(O2)C4=CC=C(O)C=C4)[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O

Canonical SMILES

O=C1C=C(OC2=C1C(O)=C(C(O)=C2C3OC(CO)C(O)C(O)C3O)C4OCC(O)C(O)C4O)C=5C=CC(O)=CC5

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 6-α-L-arabinopyranosyl-8-β-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-
  • 6-α-L-Arabinopyranosyl-8-β-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • Isoschaftoside
  • 6-C-α-L-Arabinosyl-8-C-β-D-glucosylapigenin
  • Apigenin 6-C-α-L-arabinoside 8-C-β-D-glucoside

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Deleted or Replaced CAS Registry Numbers

76491-12-8, 2207608-56-6

CAS INSIGHTSTM
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