(Q110172896)

English

1-(5,23,32,41,42-Pentamethyl-4,6,16-trioxa-23,32,41,42-tetrazaundecacyclo[28.10.1.113,21.02,28.05,27.07,25.010,24.011,22.014,19.031,39.033,38]dotetraconta-7(25),8,10(24),11(22),17,31(39),33,35,37-nonaen-18-yl)ethanone

group of stereoisomers with the chemical formula C₄₂H₄₈N₄O₄

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

672.367556016 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₄₈N₄O₄

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canonical SMILES

O=C(C1=COCC2C1CC3C4=C(C=5C=CC=6OC7(OCC8C9N(C)C(C%10=C(C=%11C=CC=CC%11N%10C)C9)CC8C7CC6C5N4C)C)CC2N3C)C

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found in taxon

Alstonia macrophylla

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stated in

Lumutinines A-D, linearly fused macroline-macroline and macroline-sarpagine bisindoles from Alstonia macrophylla

Identifiers

InChI

InChI=1S/C42H48N4O4/c1-21(47)29-18-48-19-30-24(29)14-36-41-27(17-34(30)43(36)3)23-11-12-38-28(39(23)46(41)6)13-32-25-15-37-40-26(22-9-7-8-10-33(22)45(40)5)16-35(44(37)4)31(25)20-49-42(32,2)50-38/h7-12,18,24-25,30-32,34-37H,13-17,19-20H2,1-6H3

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InChIKey

DNJGHPRRCVYEAK-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DNJGHPRRCVYEAK-UHFFFAOYSA-N

(Q110172896)

1-(5,23,32,41,42-Pentamethyl-4,6,16-trioxa-23,32,41,42-tetrazaundecacyclo[28.10.1.113,21.02,28.05,27.07,25.010,24.011,22.014,19.031,39.033,38]dotetraconta-7(25),8,10(24),11(22),17,31(39),33,35,37-nonaen-18-yl)ethanone

Statements

Identifiers

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