(Q105347011)

English

(11R,14R,15S,16R,17R,20S)-1,2,13,18,30,31-hexazaoctacyclo[20.6.1.12,9.111,15.116,20.03,8.014,17.023,28]dotriaconta-3,5,7,9(32),22(29),23,25,27-octaene-12,19-dione

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

alkaloid

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mass

452.196074008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₂₄N₆O₂

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canonical SMILES

O=C1NC2C3NC(=O)C4Cc5cn(c6ccccc56)-n5cc(c6ccccc65)CC1NC2C3N4

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isomeric SMILES

O=C1N[C@H]2[C@@H]3NC(=O)[C@H]4Cc5cn(c6ccccc56)-n5cc(c6ccccc65)C[C@@H]1N[C@@H]2[C@@H]3N4

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found in taxon

Psephellus schischkinii

1 reference

stated in

Isolation, structure elucidation and bioactivity of schischkiniin, a unique indole alkaloid from the seeds of Centaurea schischkinii

Identifiers

InChI

InChI=1S/C26H24N6O2/c33-25-17-9-13-11-31(19-7-3-1-5-15(13)19)32-12-14(16-6-2-4-8-20(16)32)10-18-26(34)30-24-22(28-18)21(27-17)23(24)29-25/h1-8,11-12,17-18,21-24,27-28H,9-10H2,(H,29,33)(H,30,34)/t17-,18+,21+,22-,23-,24-/m1/s1

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InChIKey

YDSNEBDWEMJNRL-QQDJQPFDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YDSNEBDWEMJNRL-QQDJQPFDSA-N

(Q105347011)

(11R,14R,15S,16R,17R,20S)-1,2,13,18,30,31-hexazaoctacyclo[20.6.1.12,9.111,15.116,20.03,8.014,17.023,28]dotriaconta-3,5,7,9(32),22(29),23,25,27-octaene-12,19-dione

Statements

Identifiers

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