Cas no 139628-05-0 ((±)2′-Epi-5-deoxy-strigol)

(±)2′-Epi-5-deoxy-strigol structure
(±)2′-Epi-5-deoxy-strigol structure
Product Name:(±)2′-Epi-5-deoxy-strigol
CAS No:139628-05-0
MF:C19H22O5
MW:330.374986171722
CID:4739560
PubChem ID:15102685
Update Time:2024-03-01

(±)2′-Epi-5-deoxy-strigol Chemical and Physical Properties

Names and Identifiers

    • 2H-Indeno[1,2-b]furan-2-one, 3-[[[(2R)-2,5-dihydro-4-methyl-5-oxo-2-furanyl]oxy]methylene]-3,3a,4,5,6,7,8,8b-octahydro-8,8-dimethyl-, (3E,3aS,8bR)-rel-
    • (±)2′-Epi-5-deoxy-strigol
    • Inchi: 1S/C19H22O5/c1-10-7-14(23-17(10)20)22-9-13-12-8-11-5-4-6-19(2,3)15(11)16(12)24-18(13)21/h7,9,12,14,16H,4-6,8H2,1-3H3/b13-9+/t12-,14+,16+/m0/s1
    • InChI Key: QXTUQXRFEBHUBA-OHYDKCKCSA-N
    • SMILES: O1C(=O)/C(=C/O[C@H]2C=C(C)C(=O)O2)/[C@]2([H])CC3=C([C@]12[H])C(C)(C)CCC3

Computed Properties

  • Exact Mass: 330.14672380g/mol
  • Monoisotopic Mass: 330.14672380g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 2
  • Complexity: 709
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 61.8?2

(±)2′-Epi-5-deoxy-strigol Pricemore >>

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