(Q105340990)

English

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

chemical compound

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type of chemical entity

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subclass of

9-hydroxy-4,4,4',4',14'-pentamethyl-12'-methylidene-9',14'-diazaspiro[[1,4]dioxepino[2,3-g]indole-8,5'-tetracyclo[5.5.2.0¹,⁹.0³,⁷]tetradecan]-13'-one

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

475.247106536 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₃N₃O₄

0 references

canonical SMILES

C=C1CCN2CC34CC5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)C3CC12C(=O)N4C

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isomeric SMILES

C=C1CCN2C[C@]34C[C@@]5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)[C@@H]3C[C@]12C(=O)N4C

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found in taxon

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/C28H33N3O4/c1-16-9-11-31-15-26-14-27(25(4,5)19(26)13-28(16,31)23(33)30(26)6)17-7-8-18-21(20(17)29-22(27)32)34-12-10-24(2,3)35-18/h7-8,10,12,19H,1,9,11,13-15H2,2-6H3,(H,29,32)/t19-,26+,27+,28+/m0/s1

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InChIKey

XSESDTUYLDKCBE-PRSCVQRZSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105340990)

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

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