(Q105332124)

English

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

group of stereoisomers with the chemical formula C₂₈H₃₅N₃O₄

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Statements

instance of

group of stereoisomers

0 references

1 reference

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)C3CC12C(=O)N4C

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isomeric SMILES

CC1CCN2C[C@@]34CC5(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 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.

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.

Identifiers

InChI

InChI=1S/C28H35N3O4/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/h7-8,10,12,16,19H,9,11,13-15H2,1-6H3,(H,29,32)/t16?,19-,26+,27?,28+/m1/s1

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InChIKey

XNXXZRQPTAQILV-TVKVCOJCSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

XNXXZRQPTAQILV-TVKVCOJCSA-N

ChEBI ID

224569

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C28H35N3O4/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/h7-8,10,12,16,19H,9,11,13-15H2,1-6H3,(H,29,32)/t16?,19-,26+,27?,28+/m1/s1

1 reference

Natural Product Atlas ID

NPA021303

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XNXXZRQPTAQILV-TVKVCOJCSA-N

(Q105332124)

(1'R,7'S,9'R)-4,4,6',10',10',13'-hexamethylspiro[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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Identifiers

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