561-20-6, CAS No 561-20-6

561-20-6 Cacotheline
Product Name	Cacotheline
Synonyms	AI3-18782;NSC 5069;17-Norcuran-16-propanoic acid, 19,20-didehydro-beta,18-epoxy-10,11-dihydro-12-nitro-10,11-dioxo-, (betaS,16beta)-;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-;[(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);(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)
Molecular Formula	C₂₁H₂₁N₃O₇
Molecular Weight	427.4073
InChl	InChI=1/C21H21N3O7/c25-12-6-11-17(18(19(12)28)24(29)30)22-20-16-10-5-14-21(11,20)2-3-23(14)8-9(10)1-4-31-13(16)7-15(26)27/h1,6,10,13-14,16,20,22H,2-5,7-8H2,(H,26,27)
CAS Registry Number	561-20-6
EINECS	209-215-6
Molecular Structure
Density	1.62g/cm³
Boiling Point	695.8°C at 760 mmHg
Refractive Index	1.71
Flash Point	374.6°C
Vapour Pressur	3.38E-21mmHg at 25°C

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