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ROQUEFORTINE-C

View entire compound with spectra: 3 NMR, and 1 MS (GC)

ROQUEFORTINE-C
SpectraBase Compound ID FSPRvXyXRWz
InChI InChI=1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b16-9-
InChIKey SPWSUFUPTSJWNG-SXGWCWSVSA-N
Mol Weight 389.46 g/mol
Molecular Formula C22H23N5O2
Exact Mass 389.185175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kC72G2XWqK
Name Roquefortine
CAS Registry Number 58735-64-1
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23N5O2
InChI InChI=1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b16-9-
InChIKey SPWSUFUPTSJWNG-SXGWCWSVSA-N
Molecular Weight 389.459 g/mol
SMILES [nH]1cncc1\C=C\1C(N2C3C(CC2C(=N1)O)(C(C=C)(C)C)c1c(N3)cccc1)=O
SPLASH splash10-05gi-2913000000-89439ed1cae832255276
Source of Spectrum W6-34061-31475-0
Synonyms 10b-(1,1-Dimethyl-2-propenyl)-1-hydroxy-3-(1H-imidazol-5-ylmethylene)-3,5a,6,10b,11,11a-hexahydro-4H-pyrazino[2',1':5,1]pyrrolo[2,3-b]indol-4-one Roquefortine C 2H-Pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4-(3H,5aH)-dione, 6,10b,11,11a-tetrahydro-10b-(1,1-dimethyl-2-propenyl)-3-(1H-imidazol-4-ylmethylene)- (Z)-1,1-dimethylallyl(1H-imidazol-4-ylmethylene)[?]dione (4Z)-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0?,?.0??,??]hexadeca-10,12,14-triene-3,6-dione 2H-Pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione, 10b-(1,1-dimethyl-2-propenyl)-6,10b,11,11a-tetrahydro-3-(1H-imidazol-4-ylmethylene)-, (3E,5aS,10bR,11aS)- 2H-Pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione, 10b-(1,1-dimethyl-2-propenyl)-6,10b,11,11a-tetrahydro-3-(1H-imidazol-4-ylmethylene)-, (3Z)- 2H-Pyrazino[1',5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione, 10b-(1,1-dimethyl-2-propenyl)-6,10b,11,11a-tetrahydro-3-(1H-imidazol-4-ylmethylene)- (VA
Wiley ID 120019