(Q105235018)

English

(1'S,6'S,7'S,8R,9'S)-4,4,6',10',10',14'-hexamethylspiro[10H-[1,4]dioxepino[2,3-g]indole-8,11'-3,14-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-9,13'-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

spiroindole alkaloid

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mass

477.2627566 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₅N₃O₄

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canonical SMILES

CC1CCN2CC34CC5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)C3CC12N(C)C4=O

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isomeric SMILES

C[C@H]1CCN2C[C@]34C[C@@]5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)[C@@H]3C[C@]12N(C)C4=O

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found in taxon

Aspergillus

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stated in

Novel anthelmintic metabolites from an Aspergillus species; the aspergillimides

Penicillium charlesii

1 reference

stated in

Novel antinematodal and antiparasitic agents from Penicillium charlesii. II. Structure determination of paraherquamides B, C, D, E, F, and G.

Penicillium dierckxii

1 reference

stated in

Novel antinematodal and antiparasitic agents from Penicillium charlesii. II. Structure determination of paraherquamides B, C, D, E, F, and G.

Identifiers

InChI

InChI=1S/C28H35N3O4/c1-16-9-11-31-15-26-14-27(25(4,5)19(26)13-28(16,31)30(6)23(26)33)17-7-8-18-21(20(17)29-22(27)32)34-12-10-24(2,3)35-18/h7-8,10,12,16,19H,9,11,13-15H2,1-6H3,(H,29,32)/t16-,19-,26+,27+,28+/m0/s1

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InChIKey

REQIHHINNNXGQV-PYGUQFFJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

REQIHHINNNXGQV-PYGUQFFJSA-N

(Q105235018)

(1'S,6'S,7'S,8R,9'S)-4,4,6',10',10',14'-hexamethylspiro[10H-[1,4]dioxepino[2,3-g]indole-8,11'-3,14-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-9,13'-dione

Statements

Identifiers

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