Barlerin

CAS Registry Number®

57420-46-9
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CAS Name

Barlerin

Molecular Formula

C19H28O12

Molecular Mass

448.42

Cite this Page

Barlerin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=57420-46-9 (retrieved 2024-04-29) (CAS RN: 57420-46-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H28O12/c1-7(21)31-19(2)4-9(22)11-8(16(26)27-3)6-28-17(12(11)19)30-18-15(25)14(24)13(23)10(5-20)29-18/h6,9-15,17-18,20,22-25H,4-5H2,1-3H3/t9-,10-,11+,12-,13-,14+,15-,17+,18+,19+/m1/s1

InChIKey

InChIKey=ARFRZOLTIRQFCI-NGQYDJQZSA-N

SMILES

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

Canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C(O)CC3(OC(=O)C)C

Other Names for this Substance

  • Cyclopenta[c]pyran-4-carboxylic acid, 7-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methyl-, methyl ester, (1S,4aS,5R,7S,7aS)-
  • Cyclopenta[c]pyran-4-carboxylic acid, 7-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methyl-, methyl ester, [1S-(1α,4aα,5α,7α,7aα)]-
  • Barlerin
  • Umbroside
  • 8-O-Acetylshanzhiside methyl ester

View All

Deleted or Replaced CAS Registry Numbers

82146-06-3

CAS INSIGHTSTM
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