Cas no 62256-05-7 ((4S)-4,4aα,7,7aβ,11,11aα,14,14aβ-Octahydro-4α,11α-dihydroxy-8H,13H-6aβ,13aβ-epidithio-1H,6H-pyrazino[1,2-a:4,5-a']diindole-1,6,8,13-tetrone)

(4S)-4,4aα,7,7aβ,11,11aα,14,14aβ-Octahydro-4α,11α-dihydroxy-8H,13H-6aβ,13aβ-epidithio-1H,6H-pyrazino[1,2-a:4,5-a']diindole-1,6,8,13-tetrone structure
62256-05-7 structure
Product Name:(4S)-4,4aα,7,7aβ,11,11aα,14,14aβ-Octahydro-4α,11α-dihydroxy-8H,13H-6aβ,13aβ-epidithio-1H,6H-pyrazino[1,2-a:4,5-a']diindole-1,6,8,13-tetrone
CAS No:62256-05-7
MF:C18H16N2O6S2
MW:420.459442138672
CID:956391
PubChem ID:155232
Update Time:2025-04-19

(4S)-4,4aα,7,7aβ,11,11aα,14,14aβ-Octahydro-4α,11α-dihydroxy-8H,13H-6aβ,13aβ-epidithio-1H,6H-pyrazino[1,2-a:4,5-a']diindole-1,6,8,13-tetrone Chemical and Physical Properties

Names and Identifiers

    • (4S)-4,4aα,7,7aβ,11,11aα,14,14aβ-Octahydro-4α,11α-dihydroxy-8H,13H-6aβ,13aβ-epidithio-1H,6H-pyrazino[1,2-a:4,5-a']diindole-1,6,8,13-tetrone
    • Epicorazine A
    • 8H,13H-6A,13A-Epidithio-1H,6H-pyrazino(1,2-A:4,5-A')diindole-1,6,8,13-tetrone, 4,4A,7,7A,11,11A,14,14A-octahydro-4,11-dihydroxy-, (4S-(4alpha,4aalpha,6abeta,7abeta,11alpha,11aalpha,13abeta,14abeta))-
    • (4S)-4,4aα,7,7aβ,11,11aα,14,14aβ-Octahydro-4α,11α-dihydroxy-8H,13H-6aβ,13aβ-epidithio-1H,6H-pyrazino[1,2-a:4,5-a']diindole-1,
    • 4,11-Dihydroxy-4,4a,7,7a,11,11a,14,14a-octahydro-1H,6H,8H,13H-6a,13a-epidithiopyrazino[1,2-a:4,5-a']diindole-1,6,8,13-tetrone
    • 6CS76F5HZN
    • NSC 287069
    • SCHEMBL17971327
    • NSC287069
    • UNII-6CS76F5HZN
    • CHEMBL2001430
    • 8H,13H-6a,13a-Epidithio-1H,6H-pyrazino(1,2-a:4,5-a')diindole-1,6,8,13-tetrone, 4,4a,7,7a,11,11a,14,14a-octahydro-4,11-dihydroxy-, (4S-(4alpha,4aalpha,6abeta,7aalpha,11alpha,11aalpha,13abeta,14abeta))-
    • 62256-05-7
    • DTXSID10977830
    • Epicorazine B
    • 5,15-dihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosa-6,16-diene-2,8,12,18-tetrone
    • NSC-287069
    • 69176-72-3
    • (4S)-4,4aalpha,7,7abeta,11,11aalpha,14,14abeta-Octahydro-4alpha,11alpha-dihydroxy-8H,13H-6abeta,13abeta-epidithio-1H,6H-pyrazino[1,2-a:4,5-a']diindole-1,6,8,13-tetrone
    • Inchi： 1S/C18H16N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h1-4,7-8,11-14,23-24H,5-6H2
    • InChI Key： RCODXLGTKJXDNC-UHFFFAOYSA-N
    • SMILES： S1C23C(N4C5C(C=CC(C5CC4(C(N2C2C(C=CC(C2C3)=O)O)=O)S1)=O)O)=O

Computed Properties

  • Exact Mass: 420.04500
  • Monoisotopic Mass: 420.04497858g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 0
  • Complexity: 861
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 8
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.7
  • Topological Polar Surface Area: 166?2

Experimental Properties

  • PSA: 165.82000
  • LogP: -0.90280

(4S)-4,4aα,7,7aβ,11,11aα,14,14aβ-Octahydro-4α,11α-dihydroxy-8H,13H-6aβ,13aβ-epidithio-1H,6H-pyrazino[1,2-a:4,5-a']diindole-1,6,8,13-tetrone Related Literature

Related Categories

62256-05-7 ((4S)-4,4aα,7,7aβ,11,11aα,14,14aβ-Octahydro-4α,11α-dihydroxy-8H,13H-6aβ,13aβ-epidithio-1H,6H-pyrazino[1,2-a:4,5-a']diindole-1,6,8,13-tetrone) Related Products

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