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Home > Encyclopedia > [(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

[(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

[(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 structure

[(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 

structure
  • CAS No:

    55387-45-6

  • Formula:

    C29H30N4O7

  • Chemical Name:

    [(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

  • Synonyms:

    fumitremorgin C;tryproquivaline D (2'S-(2'alpha,9'alpha(4R*(S*)),9'abeta))-isomer;tryproquivaline L (9'R-(9'alpha(R*),9'abeta))-isomer;tryproquivaline L (9'R-(9'alpha(S*),9'abeta))-isomer;tryproquivaline M (2'S-(2'alpha,9'alpha(4R*(S*)),9'abeta))-isomer;tryproquivaline M (2'S-(2'alpha,9'alpha(4S*(S*)),9'abeta))-isomer;tryproquivaline N (2'S-(2'alpha,9'alpha(R*),9'abeta))-isomer;tryptoquivaline;Tryptoquivaline;UNII-CW5S8OP3VO;CW5S8OP3VO;55387-45-6;CHEMBL2386536;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;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;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)-

[(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 Basic Attributes

546.6 g/mol

546.21144931 g/mol

CW5S8OP3VO

Characteristics

129 Ų

3.1992

215 °C (water)

Drug Information

fumitremorgin C

Computed Properties

Molecular Weight:546.6
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:546.21144931
Monoisotopic Mass:546.21144931
Topological Polar Surface Area:129
Heavy Atom Count:40
Complexity:1150
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(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

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