Cas no 1116650-29-3 (1H,3H-Pyrano[3,4-c]pyran-5-carboxylic acid, 3-ethoxy-8-(β-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-1-methyl-, methyl ester, (1S,3S,4aS,8S,8aS)-)

1H,3H-Pyrano[3,4-c]pyran-5-carboxylic acid, 3-ethoxy-8-(β-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-1-methyl-, methyl ester, (1S,3S,4aS,8S,8aS)- structure
1116650-29-3 structure
Product Name:1H,3H-Pyrano[3,4-c]pyran-5-carboxylic acid, 3-ethoxy-8-(β-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-1-methyl-, methyl ester, (1S,3S,4aS,8S,8aS)-
CAS No:1116650-29-3
MF:C19H30O11
MW:434.434907436371
CID:4765330
PubChem ID:145963539
Update Time:2024-11-05

1H,3H-Pyrano[3,4-c]pyran-5-carboxylic acid, 3-ethoxy-8-(β-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-1-methyl-, methyl ester, (1S,3S,4aS,8S,8aS)- Chemical and Physical Properties

Names and Identifiers

    • 1H,3H-Pyrano[3,4-c]pyran-5-carboxylic acid, 3-ethoxy-8-(β-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-1-methyl-, methyl ester, (1S,3S,4aS,8S,8aS)-
    • 7α-O-Ethylmorroniside
    • A-O-Ethylmorroniside
    • 7alpha-O-Ethylmorroniside
    • F94168
    • 1116650-29-3
    • CHEMBL4160015
    • BDBM50279568
    • DA-49992
    • CS-0676010
    • methyl (1S,3S,4aS,8S,8aS)-3-ethoxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate
    • 7
    • HY-N11659
    • Inchi： 1S/C19H30O11/c1-4-26-12-5-9-10(17(24)25-3)7-27-18(13(9)8(2)28-12)30-19-16(23)15(22)14(21)11(6-20)29-19/h7-9,11-16,18-23H,4-6H2,1-3H3/t8-,9+,11+,12-,13+,14+,15-,16+,18-,19-/m0/s1
    • InChI Key： IRKFOLIBBQDADK-HWCWTJPSSA-N
    • SMILES： O([C@@]1([H])[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)[C@@H]1OC=C(C(=O)OC)[C@@]2([H])C[C@@H](OCC)O[C@@H](C)[C@@]12[H]

Computed Properties

  • Exact Mass: 434.17881177g/mol
  • Monoisotopic Mass: 434.17881177g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 7
  • Complexity: 626
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.9
  • Topological Polar Surface Area: 153?2

1H,3H-Pyrano[3,4-c]pyran-5-carboxylic acid, 3-ethoxy-8-(β-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-1-methyl-, methyl ester, (1S,3S,4aS,8S,8aS)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
YUN NAN XI LI SHENG WU JI SHU GU FEN Co., Ltd.
BBP06052-5mg
7α-O-Ethylmorroniside
 1116650-29-3 98.0%
5mg
 ￥3400 2023-09-19

1H,3H-Pyrano[3,4-c]pyran-5-carboxylic acid, 3-ethoxy-8-(β-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-1-methyl-, methyl ester, (1S,3S,4aS,8S,8aS)- Related Literature

1116650-29-3 (1H,3H-Pyrano[3,4-c]pyran-5-carboxylic acid, 3-ethoxy-8-(β-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-1-methyl-, methyl ester, (1S,3S,4aS,8S,8aS)-) Related Products

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