Cas no 19427-82-8 (Selinidin)

Selinidin structure
Selinidin structure
Product Name:Selinidin
CAS No:19427-82-8
MF:C19H20O5
MW:328.359106063843
CID:1080923
PubChem ID:668079
Update Time:2025-04-20

Selinidin Chemical and Physical Properties

Names and Identifiers

    • Selinidin
    • (R)-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-9-yl (Z)-2-methylbut-2-enoate
    • Secryptotaenin A
    • [ "" ]
    • Jatamansin
    • (Z)-2-Methyl-2-butenoic acid [(S)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl] ester
    • RRHCDWLSHIIIIT-GHAIFCDISA-N
    • CS-0016682
    • Crotonic acid, 2-methyl-, ester with 9,10-dihydro-9-hydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one, (Z)-(S)-
    • HY-N1278
    • [(9S)-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (Z)-2-methylbut-2-enoate
    • XS163803
    • (S,Z)-8,8-Dimethyl-2-oxo-2,8,9,10-tetrahydropyrano[2,3-f]chromen-9-yl 2-methylbut-2-enoate
    • (Z)-2-Methyl-but-2-enoic acid 8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]-chromen-9-yl ester
    • AKOS040762327
    • [(9S)-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate
    • DTXSID301318639
    • 2-Butenoic acid, 2-methyl-, 9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester, [S-(Z)]-
    • 8,8-Dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-9-yl (2Z)-2-methyl-2-butenoate #
    • 2-Butenoic acid, 2-methyl-, (9S)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester, (2Z)-
    • Selenedin
    • 19427-82-8
    • MLS000863586
    • MLSMR
    • Lomatin; (R)-form, O-Angeloyl
    • SMR000440744
    • DA-67531
    • Inchi: 1S/C19H20O5/c1-5-11(2)18(21)22-15-10-13-14(24-19(15,3)4)8-6-12-7-9-16(20)23-17(12)13/h5-9,15H,10H2,1-4H3/b11-5-/t15-/m0/s1
    • InChI Key: RRHCDWLSHIIIIT-GHAIFCDISA-N
    • SMILES: O1C2C=CC3C=CC(=O)OC=3C=2C[C@@H](C1(C)C)OC(/C(=C\C)/C)=O

Computed Properties

  • Exact Mass: 328.13100
  • Monoisotopic Mass: 328.13107373g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 3
  • Complexity: 589
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.7
  • Topological Polar Surface Area: 61.8?2

Experimental Properties

  • Color/Form: Oil
  • Density: 1.24±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 97-98 oC
  • Boiling Point: 476.0±45.0 °C at 760 mmHg
  • Flash Point: 209.7±28.8 °C
  • Solubility: Almost insoluble (0.031 g/l) (25 o C),
  • PSA: 65.74000
  • LogP: 3.38450
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

Selinidin Security Information

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