Cas no 69176-72-3 ((6aR)-4t,11t-dihydroxy-(4at,7ac,11at,14ac)-4,4a,7,7a,11,11a,14,14a-octahydro-6ar,13ac-epidisulfano-pyrazino[1,2-a;4,5-a']diindole-1,6,8,13-tetraone)

(6aR)-4t,11t-dihydroxy-(4at,7ac,11at,14ac)-4,4a,7,7a,11,11a,14,14a-octahydro-6ar,13ac-epidisulfano-pyrazino[1,2-a;4,5-a']diindole-1,6,8,13-tetraone structure
69176-72-3 structure
Product Name:(6aR)-4t,11t-dihydroxy-(4at,7ac,11at,14ac)-4,4a,7,7a,11,11a,14,14a-octahydro-6ar,13ac-epidisulfano-pyrazino[1,2-a;4,5-a']diindole-1,6,8,13-tetraone
CAS No:69176-72-3
MF:C18H16N2O6S2
MW:420.459442138672
CID:2014652
PubChem ID:155232
Update Time:2025-04-21

(6aR)-4t,11t-dihydroxy-(4at,7ac,11at,14ac)-4,4a,7,7a,11,11a,14,14a-octahydro-6ar,13ac-epidisulfano-pyrazino[1,2-a;4,5-a']diindole-1,6,8,13-tetraone Chemical and Physical Properties

Names and Identifiers

    • 4,5-a']diindole-1,6,8,13-tetraone
    • Epicorazin A
    • epicorazine-A
    • (4S)-4,4aα,7,7aα,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
    • 4,5-a']diin
    • 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
    • DTXSID10977830
    • NSC-287069
    • 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))-
    • 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
    • SCHEMBL17971327
    • 69176-72-3
    • NSC287069
    • 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))-
    • 62256-05-7
    • 6CS76F5HZN
    • UNII-6CS76F5HZN
    • CHEMBL2001430
    • Epicorazine B
    • Epicorazine A
    • (6aR)-4t,11t-dihydroxy-(4at,7ac,11at,14ac)-4,4a,7,7a,11,11a,14,14a-octahydro-6ar,13ac-epidisulfano-pyrazino[1,2-a;4,5-a']diindole-1,6,8,13-tetraone
    • 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: OC1C2C(CC34N2C(=O)C2(N(C3=O)C3C(C=CC(C3C2)=O)O)SS4)C(=O)C=C1

Computed Properties

  • Exact Mass: 420.045
  • Monoisotopic Mass: 420.045
  • 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: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 166A^2
  • XLogP3: -1.7

Experimental Properties

  • Density: 1.85
  • Boiling Point: 870.7°Cat760mmHg
  • Flash Point: 480.4°C
  • Refractive Index: 1.839

(6aR)-4t,11t-dihydroxy-(4at,7ac,11at,14ac)-4,4a,7,7a,11,11a,14,14a-octahydro-6ar,13ac-epidisulfano-pyrazino[1,2-a;4,5-a']diindole-1,6,8,13-tetraone Related Literature

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