Cas no 19885-52-0 ((5S,5aS,12S,12aS)-12-hydroxy-7,14-dioxo-5,5a,12,12a-tetrahydro-8H,15H-7a,14a-epidithiooxepino[3'',4'':4',5']pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-5(7H,14H)-yl acetate)

(5S,5aS,12S,12aS)-12-hydroxy-7,14-dioxo-5,5a,12,12a-tetrahydro-8H,15H-7a,14a-epidithiooxepino[3'',4'':4',5']pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-5(7H,14H)-yl acetate structure
19885-52-0 structure
Product Name:(5S,5aS,12S,12aS)-12-hydroxy-7,14-dioxo-5,5a,12,12a-tetrahydro-8H,15H-7a,14a-epidithiooxepino[3'',4'':4',5']pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-5(7H,14H)-yl acetate
CAS No:19885-52-0
MF:C20H18N2O6S2
MW:446.496722698212
CID:1389185
PubChem ID:197992
Update Time:2025-04-20

(5S,5aS,12S,12aS)-12-hydroxy-7,14-dioxo-5,5a,12,12a-tetrahydro-8H,15H-7a,14a-epidithiooxepino[3'',4'':4',5']pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-5(7H,14H)-yl acetate Chemical and Physical Properties

Names and Identifiers

    • (5S,5aS,12S,12aS)-12-hydroxy-7,14-dioxo-5,5a,12,12a-tetrahydro-8H,15H-7a,14a-epidithiooxepino[3'',4'':4',5']pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-5(7H,14H)-yl acetate
    • [(4S,5S,15S,16S)-16-hydroxy-2,13-dioxo-8-oxa-22,23-dithia-3,14-diazahexacyclo[10.9.2.01,14.03,12.04,10.015,20]tricosa-6,9,17,19-tetraen-5-yl] acetate
    • Antibiotic A 21101-IV
    • Apoarantoin
    • 19885-52-0
    • A-21101-IV
    • BRN 5414857
    • DTXSID70941739
    • 8H,15H-Epidithio-7H,14H-oxepino(3'',4'':4',5')pyrrolo(1,2':4,5)pyrazino(1,2-a)indole-7,14-dione, 5,5a,12,12a-tetrahydro-5,12-dihydroxy-, 5-acetate
    • 12-Hydroxy-7,14-dioxo-5,5a,12,12a-tetrahydro-7H,8H,14H,15H-7a,14a-epidithiooxepino[3'',4'':4',5']pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-5-yl acetate
    • Inchi： 1S/C20H18N2O6S2/c1-10(23)28-14-5-6-27-9-12-8-20-17(25)21-15-11(3-2-4-13(15)24)7-19(21,29-30-20)18(26)22(20)16(12)14/h2-6,9,13-16,24H,7-8H2,1H3
    • InChI Key： UJHGIUXXTQBPOA-UHFFFAOYSA-N
    • SMILES： CC(OC1C2C(CC34N2C(=O)C2(N(C3=O)C3C(=CC=CC3O)C2)SS4)=COC=C1)=O

Computed Properties

  • Exact Mass: 446.06074
  • Monoisotopic Mass: 446.060628
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 2
  • Complexity: 1020
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 147
  • XLogP3: -0.7

Experimental Properties

  • Density: 1.7
  • Boiling Point: 806.4°C at 760 mmHg
  • Flash Point: 441.5°C
  • Refractive Index: 1.789
  • PSA: 96.38

(5S,5aS,12S,12aS)-12-hydroxy-7,14-dioxo-5,5a,12,12a-tetrahydro-8H,15H-7a,14a-epidithiooxepino[3'',4'':4',5']pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-5(7H,14H)-yl acetate Related Literature

Related Categories

19885-52-0 ((5S,5aS,12S,12aS)-12-hydroxy-7,14-dioxo-5,5a,12,12a-tetrahydro-8H,15H-7a,14a-epidithiooxepino[3'',4'':4',5']pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-5(7H,14H)-yl acetate) Related Products

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