1,3-bis(1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)propan-2-one (Q104376017)

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group of stereoisomers with the chemical formula C₄₅H₄₀N₂O₉

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Language	Label	Description	Also known as
English	1,3-bis(1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)propan-2-one	group of stereoisomers with the chemical formula C₄₅H₄₀N₂O₉

Statements

instance of

group of stereoisomers

0 references

subclass of

benzo[c]phenanthridine alkaloid

1 reference

inferred from

benzo[c]phenanthridine alkaloid

mass

752.27338086 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₅H₄₀N₂O₉

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canonical SMILES

O=C(CC1C2=C(OC)C(OC)=CC=C2C=3C=CC4=CC=5OCOC5C=C4C3N1C)CC6C7=C(OC)C(OC)=CC=C7C=8C=CC9=CC=%10OCOC%10C=C9C8N6C

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found in taxon

Bocconia arborea

1 reference

stated in

Identification of benzophenanthridine alkaloids from Bocconia arborea by gas chromatography-mass spectrometry

Identifiers

InChI

InChI=1S/C45H40N2O9/c1-46-32(40-26(11-13-34(49-3)44(40)51-5)28-9-7-23-15-36-38(55-21-53-36)19-30(23)42(28)46)17-25(48)18-33-41-27(12-14-35(50-4)45(41)52-6)29-10-8-24-16-37-39(56-22-54-37)20-31(24)43(29)47(33)2/h7-16,19-20,32-33H,17-18,21-22H2,1-6H3

0 references

InChIKey

ZRBAHVKXPDCZNG-UHFFFAOYSA-N

0 references

PubChem CID

162844865

2 references

stated in

PubChem

inferred from

InChIKey

retrieved

15 September 2022

matched by identifier from

InChIKey

InChIKey

ZRBAHVKXPDCZNG-UHFFFAOYSA-N

 

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