CAS Registry Number®
57420-46-9
CAS Name
Barlerin
Molecular Formula
C19H28O12
Molecular Mass
448.42
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
- 8-Acetylshanzhiside methyl ester
- 8-Acetylshanziside methyl ester
Deleted or Replaced CAS Registry Numbers
82146-06-3
