Cas no 112661-59-3 (Stolonidiol)

Stolonidiol structure
Stolonidiol structure
Product Name:Stolonidiol
CAS No:112661-59-3
MF:C20H32O4
MW:336.465686798096
CID:230614
PubChem ID:359907
Update Time:2025-04-19

Stolonidiol Chemical and Physical Properties

Names and Identifiers

    • Stolonidiol
    • 2-[(1S,3aS)-9a-(hydroxymethyl)-3a-methyl-6-methylidenedodecahydro-1H-cyclopenta[1,11]oxireno[4,5]cycloundeca[1,2-b]oxiren-1-yl]propan-2-ol (non-preferred name)
    • 2-[(13S,16S)-5-(Hydroxymethyl)-13-methyl-10-methylidene-2,6-dioxatetracyclo[11.3.0.01,3.05,7]hexadecan-16-yl]propan-2-ol
    • 112661-59-3
    • NSC-621604
    • NSC621604
    • Inchi: 1S/C20H32O4/c1-13-5-6-15-19(12-21,23-15)11-16-20(24-16)14(17(2,3)22)8-10-18(20,4)9-7-13/h14-16,21-22H,1,5-12H2,2-4H3/t14?,15?,16?,18-,19?,20?/m1/s1
    • InChI Key: AIGZUIVVXKXMDB-RHAKXUACSA-N
    • SMILES: O1C2CC3(CO)C(CCC(=C)CC[C@]4(C)CCC(C(C)(C)O)C142)O3

Computed Properties

  • Exact Mass: 336.23006
  • Monoisotopic Mass: 336.23006
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 2
  • Complexity: 558
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 65.5
  • XLogP3: 1.9

Experimental Properties

  • Density: 1.16
  • Boiling Point: 468.6°Cat760mmHg
  • Flash Point: 237.2°C
  • Refractive Index: 1.555
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