Cas no 35910-15-7 ((2S)-2-(Hydroxymethyl)-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one)

(2S)-2-(Hydroxymethyl)-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one structure
35910-15-7 structure
Product Name:(2S)-2-(Hydroxymethyl)-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one
CAS No:35910-15-7
MF:C21H30O8
MW:410.458107471466
CID:311711
PubChem ID:169727
Update Time:2024-02-29

(2S)-2-(Hydroxymethyl)-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one Chemical and Physical Properties

Names and Identifiers

    • 1H-Inden-1-one, 6-[2-(b-D-glucopyranosyloxy)ethyl]-2,3-dihydro-2-(hydroxymethyl)-2,5,7-trimethyl-,(2S)-
    • Pteroside A
    • 1H-Inden-1-one, 6-(2-(beta-D-glucopyranosyloxy)ethyl)-2,3-dihydro-3-hydroxy-2,5,7-trimethyl-, (S)-
    • (S)-6-(2-(beta-D-Glucopyranosyloxy)ethyl)-2,3-dihydro-3-hydroxy-2,5,7-trimethyl-1H-inden-1-one
    • 2-[2-(Hydroxymethyl)-2,4,6-trimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl]ethyl hexopyranoside
    • (2S)-2-(Hydroxymethyl)-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan
    • (2S)-2-(hydroxymethyl)-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one
    • AKOS040735009
    • 35910-15-7
    • DTXSID00957328
    • CHEBI:176016
    • PTEROSINA
    • (2S)-2-(Hydroxymethyl)-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one
    • Inchi： 1S/C21H30O8/c1-10-6-12-7-21(3,9-23)19(27)15(12)11(2)13(10)4-5-28-20-18(26)17(25)16(24)14(8-22)29-20/h6,14,16-18,20,22-26H,4-5,7-9H2,1-3H3/t14-,16-,17+,18-,20-,21+/m1/s1
    • InChI Key： UTBLUTBCAVVCIO-HPCBLLCTSA-N
    • SMILES： O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OCCC1C(C)=CC2=C(C=1C)C([C@](C)(CO)C2)=O

Computed Properties

  • Exact Mass: 410.194068
  • Monoisotopic Mass: 410.194068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 6
  • Complexity: 585
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 137
  • XLogP3: 0.6

Experimental Properties

  • Color/Form: Powder
  • Density: 1.38
  • Boiling Point: 662.9°Cat760mmHg
  • Flash Point: 230.9°C
  • Refractive Index: 1.616

(2S)-2-(Hydroxymethyl)-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one Related Literature

Related Categories

35910-15-7 ((2S)-2-(Hydroxymethyl)-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one) Related Products

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