Cas no 55387-45-6 (Spiro[furan-2(5H),9'-[9H]imidazo[1,2-a]indole]-3',5(2'H)-dione,4-[2-[(1S)-1-(acetyloxy)-2-methylpropyl]-4-oxo-3(4H)-quinazolinyl]-1',3,4,9'a-tetrahydro-1'-hydroxy-2',2'-dimethyl-,(2S,4R,9'aS)-)

Spiro[furan-2(5H),9'-[9H]imidazo[1,2-a]indole]-3',5(2'H)-dione,4-[2-[(1S)-1-(acetyloxy)-2-methylpropyl]-4-oxo-3(4H)-quinazolinyl]-1',3,4,9'a-tetrahydro-1'-hydroxy-2',2'-dimethyl-,(2S,4R,9'aS)- structure
55387-45-6 structure
Product Name:Spiro[furan-2(5H),9'-[9H]imidazo[1,2-a]indole]-3',5(2'H)-dione,4-[2-[(1S)-1-(acetyloxy)-2-methylpropyl]-4-oxo-3(4H)-quinazolinyl]-1',3,4,9'a-tetrahydro-1'-hydroxy-2',2'-dimethyl-,(2S,4R,9'aS)-
CAS No:55387-45-6
MF:C29H30N4O7
MW:546.571107387543
CID:371118
PubChem ID:108075
Update Time:2025-04-19

Spiro[furan-2(5H),9'-[9H]imidazo[1,2-a]indole]-3',5(2'H)-dione,4-[2-[(1S)-1-(acetyloxy)-2-methylpropyl]-4-oxo-3(4H)-quinazolinyl]-1',3,4,9'a-tetrahydro-1'-hydroxy-2',2'-dimethyl-,(2S,4R,9'aS)- Chemical and Physical Properties

Names and Identifiers

    • Spiro[furan-2(5H),9'-[9H]imidazo[1,2-a]indole]-3',5(2'H)-dione,4-[2-[(1S)-1-(acetyloxy)-2-methylpropyl]-4-oxo-3(4H)-quinazolinyl]-1',3,4,9'a-tetrahydro-1'-hydroxy-2',2'-dimethyl-,(2S,4R,9'aS)-
    • Spiro(furan-2(5H),9'-(9H)imidazo(1,2-a)indole)-3',5(2'H)-dione, 4-(2-((1S)-1-(acetyloxy)-2-methylpropyl)-4-oxo-3(4H)-quinazolinyl)-1',3,4,9'a-tetrahydro-1'-hydroxy-2',2'-dimethyl-, (2S,4R,9'aS)-
    • tryptoquivaline
    • SPIRO(FURAN-2(5H),9'-(9H)IMIDAZO(1,2-A)INDOLE)-3',5(2'H)-DIONE, 4-(2-(1-(ACETYLOXY)-2-METHYLPROPYL)-4-OXO-3(4H)-QUINAZOLINYL)-1',3,4,9'A-TETRAHYDRO-1'-HYDROXY-2',2'-DIMETHYL-, (9'S-(9'.ALPHA.(4S*(R*)),9'A.BETA.))-
    • UNII-CW5S8OP3VO
    • 55387-45-6
    • TRYPTOQUIVALINE C
    • CHEMBL2386536
    • 1-[3-(1-Hydroxy-2,2-dimethyl-3,5'-dioxo-1,2,3,9a-tetrahydrospiro[imidazo[1,2-a]indole-9,2'-oxolan]-4'-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]-2-methylpropyl acetate
    • [(1S)-1-[3-[(3'R,3aS,4S)-3-hydroxy-2,2-dimethyl-1,2'-dioxospiro[3aH-imidazo[1,2-a]indole-4,5'-oxolane]-3'-yl]-4-oxoquinazolin-2-yl]-2-methylpropyl] acetate
    • CW5S8OP3VO
    • TRYPTOQUIVALINE A
    • DTXSID90970728
    • Q27275854
    • (9'R-(9'alpha(4S*(R*)),9'abeta))-4-(2-(1-(Acetyloxy)-2-methylpropyl)-4-oxo-3(4H)-quinazolinyl)-1',3,4,9'a-tetrahydro-1'-hydroxy-2',2'-dimethylspiro(furan-2(5H),9'-(9H)imidazo(1,2-a) indole)-3',5(2'H)-dione
    • FTC
    • 27-epi-tryptoquivaline
    • MLS000863642
    • MLSMR
    • Tryptoquivaline C'
    • SMR000440710
    • Inchi: 1S/C29H30N4O7/c1-15(2)22(39-16(3)34)23-30-19-12-8-6-10-17(19)24(35)31(23)21-14-29(40-25(21)36)18-11-7-9-13-20(18)32-26(29)33(38)28(4,5)27(32)37/h6-13,15,21-22,26,38H,14H2,1-5H3/t21-,22+,26+,29+/m1/s1
    • InChI Key: CYNVLFGDEQQUPE-LDWWEUSWSA-N
    • SMILES: O1C([C@@H](C[C@]21C1C=CC=CC=1N1C(C(C)(C)N([C@H]12)O)=O)N1C(C2C=CC=CC=2N=C1[C@H](C(C)C)OC(C)=O)=O)=O

Computed Properties

  • Exact Mass: 546.2116
  • Monoisotopic Mass: 546.21144931g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 5
  • Complexity: 1150
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 129?2

Experimental Properties

  • PSA: 129.05
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