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Cacotheline

Molecular formula:C21H21N3O7
Average mass:427.413
Monoisotopic mass:427.137950
ChemSpider ID:61696
stereocenter-icon

6 of 6 defined stereocentres

plus-iconless-iconStructural identifiers
  • Names down_Arrow
plus-iconless-iconNames and synonyms
Verified

2,3-dihydro-4-nitro-2,3-dioxo-9,10-secostrychnidin-10-oic acid

209-215-6

[EINECS]

561-20-6

[RN]

[(4S,12S,13R,14S,19R,21S)-9-Nitro-7,8-dioxo-15-oxa-1,11-diazahexacyclo[16.3.1.0~4,12~.0~4,21~.0~5,10~.0~13,19~]docosa-5,9,17-trien-14-yl]acetic acid

[ACD/IUPAC Name]

[(4S,12S,13R,14S,19R,21S)-9-Nitro-7,8-dioxo-15-oxa-1,11-diazahexacyclo[16.3.1.0~4,12~.0~4,21~.0~5,10~.0~13,19~]docosa-5,9,17-trien-14-yl]acetic acid (non-preferred name)

[(4S,12S,13R,14S,19R,21S)-9-Nitro-7,8-dioxo-15-oxa-1,11-diazahexacyclo[16.3.1.0~4,12~.0~4,21~.0~5,10~.0~13,19~]docosa-5,9,17-trien-14-yl]essigsäure

[German]

[ACD/IUPAC Name]

[(4S,12S,13R,14S,19R,21S)-9-Nitro-7,8-dioxo-15-oxa-1,11-diazahexacyclo[16.3.1.0~4,12~.0~4,21~.0~5,10~.0~13,19~]docosa-5,9,17-trien-14-yl]essigsäure (non-preferred name)

[German]

[ACD/IUPAC Name]

Acide [(4S,12S,13R,14S,19R,21S)-9-nitro-7,8-dioxo-15-oxa-1,11-diazahexacyclo[16.3.1.0~4,12~.0~4,21~.0~5,10~.0~13,19~]docosa-5,9,17-trién-14-yl]acétique

[French]

[ACD/IUPAC Name]

Acide [(4S,12S,13R,14S,19R,21S)-9-nitro-7,8-dioxo-15-oxa-1,11-diazahexacyclo[16.3.1.0~4,12~.0~4,21~.0~5,10~.0~13,19~]docosa-5,9,17-trién-14-yl]acétique (non-preferred name)

[French]

[ACD/IUPAC Name]

Cacotheline

Unverified

2-((4bS,7aS,8aR,13S,13aR,13bS)-1-nitro-2,3-dioxo-2,3,5,6,7a,8,8a,11,13,13a,13b,14-dodecahydro-7,9-methanooxepino[3,4-a]pyrrolo[2,3-d]carbazol-13-yl)acetic acid

2-[(4S,12S,13R,14S,19R,21S)-9-nitro-7,8-dioxo-15-oxa-1,11-diazahexacyclo[16.3.1.0^{4,12}.0^{4,21}.0^{5,10}.0^{13,19}]docosa-5,9,17-trien-14-yl]acetic acid

7,9-Methano-7H-oxepino(3,4-a)pyrrolo(2,3-d)carbazole-13-acetic acid, 2,3,5,6,7a,8,8a,11,13,13a,13b,14-dodecahydro-1-nitro-2,3-dioxo-, (4bS,7S,7aS,8aR,13S,13aR,13bS)-

9,10-Secostrychnidin-10-oic acid, 2,3-dihydro-4-nitro-2,3-dioxo- (9CI)

98%

BB_NC-0688

Cacotheline Monohydrate

EINECS 209-215-6

MFCD00077211

[MDL number]

MFCD01845310

[MDL number]
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