Cas no 35938-43-3 ((2S,3S)-3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one)

(2S,3S)-3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one structure
35938-43-3 structure
Product Name:(2S,3S)-3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one
CAS No:35938-43-3
MF:C14H18O3
MW:234.290924549103
CID:1475264
PubChem ID:186209
Update Time:2025-04-20

(2S,3S)-3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one Chemical and Physical Properties

Names and Identifiers

    • (2S,3S)-3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one
    • (2S,3S)-3-Hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-1-indanone
    • 1H-inden-1-one, 2,3-dihydro-3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-, (2S,3S)-
    • Pterosin C
    • (2S,3S)-2,3-Dihydro-3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-1H-inden-1-one
    • [ "" ]
    • (10S,11S)-Pterosin C
    • CHEBI:172475
    • 3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one
    • 3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
    • 910470-81-4
    • AKOS032949152
    • CHEMBL3526273
    • CS-0145559
    • Q27137805
    • (2S,3S)-pterosin C
    • CHEBI:69467
    • 35938-43-3
    • AKOS040762584
    • DTXSID101318514
    • (2S,3S)-3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
    • SCHEMBL9097873
    • PTEROSINC
    • HY-134572
    • DA-67003
    • Inchi: 1S/C14H18O3/c1-7-6-11-12(8(2)10(7)4-5-15)14(17)9(3)13(11)16/h6,9,13,15-16H,4-5H2,1-3H3/t9-,13-/m0/s1
    • InChI Key: QQPCNRKHGFIVLH-ZANVPECISA-N
    • SMILES: O[C@@H]1C2C=C(C)C(CCO)=C(C)C=2C([C@H]1C)=O

Computed Properties

  • Exact Mass: 234.12600
  • Monoisotopic Mass: 234.125594432g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 302
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.202±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 152-155 oC
  • Solubility: Slightly soluble (1.7 g/l) (25 o C),
  • PSA: 57.53000
  • LogP: 1.70400

(2S,3S)-3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one Security Information

(2S,3S)-3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one Pricemore >>

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