Aucubin

CAS Registry Number®

479-98-1
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CAS Name

Aucubin

Molecular Formula

C15H22O9

Molecular Mass

346.33

Cite this Page

Aucubin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=479-98-1 (retrieved 2024-05-29) (CAS RN: 479-98-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    181 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1

InChIKey

InChIKey=RJWJHRPNHPHBRN-FKVJWERZSA-N

SMILES

O([C@H]1[C@]2([C@]([C@H](O)C=C2CO)(C=CO1)[H])[H])[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O

Canonical SMILES

OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12

Other Names for this Substance

  • β-D-Glucopyranoside, (1S,4aR,5S,7aS)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl
  • Aucubin
  • β-D-Glucopyranoside, 1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl, [1S-(1α,4aα,5α,7aα)]-
  • (1S,4aR,5S,7aS)-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl β-D-glucopyranoside
  • Aucuboside

Deleted or Replaced CAS Registry Numbers

99005-46-6, 11019-67-3, 11019-65-1, 22593-66-4

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