Cas no 93413-05-9 (11H-Indolo[3',2':4,5]pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-5,11(12aH)-dione,13,17b,18,18a-tetrahydro-17b-hydroxy-, (12aR,17bS,18aS)-)

11H-Indolo[3',2':4,5]pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-5,11(12aH)-dione,13,17b,18,18a-tetrahydro-17b-hydroxy-, (12aR,17bS,18aS)- structure
93413-05-9 structure
Product Name:11H-Indolo[3',2':4,5]pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-5,11(12aH)-dione,13,17b,18,18a-tetrahydro-17b-hydroxy-, (12aR,17bS,18aS)-
CAS No:93413-05-9
MF:C25H18N4O3
MW:422.435425281525
CID:806063
PubChem ID:146428
Update Time:2025-04-19

11H-Indolo[3',2':4,5]pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-5,11(12aH)-dione,13,17b,18,18a-tetrahydro-17b-hydroxy-, (12aR,17bS,18aS)- Chemical and Physical Properties

Names and Identifiers

    • 11H-Indolo[3',2':4,5]pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-5,11(12aH)-dione,13,17b,18,18a-tetrahydro-17b-hydroxy-, (12aR,17bS,18aS)-
    • 11H-Indolo[3',2':4,5]pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-5,11(12aH)-dione,13,17b,18,18a-tetrahydro-17b-hydrox
    • asperlicin E
    • C21148
    • (+)-asperlicin E
    • 11H-INDOLO(3',2':4,5)PYRROLO(2,1-C)QUINAZOLINO(3,2-A)(1,4)BENZODIAZEPINE-5,11(12AH)-DIONE, 13,17B,18,18A-TETRAHYDRO-17B-HYDROXY-, (12AR,17BS,18AS)-
    • Q27162890
    • LGN16HT207
    • (1S,20R,28S)-28-hydroxy-3,11,19,21-tetrazaheptacyclo[17.10.0.02,11.04,9.012,17.020,28.022,27]nonacosa-2,4,6,8,12,14,16,22,24,26-decaene-10,18-dione
    • ASPERLICIN E [MI]
    • 93413-05-9
    • CHEBI:90903
    • 17b-Hydroxy-13,17b,18,18a-tetrahydro-11H-indolo[3',2':4,5]pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-5,11(12aH)-dione
    • 11H-Indolo(3',2':4,5)pyrrolo(2,1-c)quinazolino(3,2-a)(1,4)benzodiazepine-5,11(12aH)-dione, 13,17b,18,18a-tetrahydro-17b-hydroxy-, (12aR-(12aalpha,17balpha,18aalpha))-
    • UNII-LGN16HT207
    • (12aR,17bS,18aS)-17b-hydroxy-13,17b,18,18a-tetrahydro-11H-indolo[3',2':4,5]pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-5,11(12aH)-dione
    • DTXSID60918455
    • Inchi: 1S/C25H18N4O3/c30-22-14-7-1-4-10-17(14)26-21-20-13-25(32)16-9-3-5-11-18(16)27-24(25)29(20)23(31)15-8-2-6-12-19(15)28(21)22/h1-12,20,24,27,32H,13H2/t20-,24+,25-/m0/s1
    • InChI Key: HYHLSEUXMRFVND-AMDXRBSFSA-N
    • SMILES: O[C@@]12C3C=CC=CC=3N[C@@H]1N1C(C3C=CC=CC=3N3C(C4C=CC=CC=4N=C3[C@@H]1C2)=O)=O

Computed Properties

  • Exact Mass: 422.138
  • Monoisotopic Mass: 422.138
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 0
  • Complexity: 875
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 85.2?2

Experimental Properties

  • Density: 1.6
  • Boiling Point: 726.9°Cat760mmHg
  • Flash Point: 393.4°C
  • Refractive Index: 1.843
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