(Q104667581)

English

(8S)-8-phenyl-1-[(Z)-3-phenylprop-2-enoyl]-1,5,9,13-tetrazacycloheptadecan-6-one

chemical compound

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instance of

type of chemical entity

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subclass of

8-Phenyl-1-(3-phenylprop-2-enoyl)-1,5,9,13-tetrazacycloheptadecan-6-one

1 reference

based on heuristic

inferred from SMILES

mass

462.299476456 dalton

1 reference

1 reference

C₂₈H₃₈N₄O₂

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canonical SMILES

O=C1CC(c2ccccc2)NCCCNCCCCN(C(=O)C=Cc2ccccc2)CCCN1

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isomeric SMILES

O=C1C[C@@H](c2ccccc2)NCCCNCCCCN(C(=O)/C=C\c2ccccc2)CCCN1

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found in taxon

Verbascum pseudonobile

2 references

stated in

Macrocyclic Spermine Alkaloids fromVerbascum: The (E/Z)-Isomeric Pairs (−)-(S)-Verbasitrine/(−)-(S)-Isoverbasitrine and (+)-(S)-Verbametrine/(+)-(S)-Isoverbametrine: Isolation, Structure Elucidation, and Synthesis

stated in

Verbacine and verballocine, novel macrocyclic spermine alkaloids from Verbascum pseudonobile Stoj. et Stef. (Scrophulariaceae)

Identifiers

InChI

InChI=1S/C28H38N4O2/c33-27-23-26(25-13-5-2-6-14-25)30-19-9-18-29-17-7-8-21-32(22-10-20-31-27)28(34)16-15-24-11-3-1-4-12-24/h1-6,11-16,26,29-30H,7-10,17-23H2,(H,31,33)/b16-15-/t26-/m0/s1

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InChIKey

ASBBGSDFHKCHMP-HXHYHFERSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

ASBBGSDFHKCHMP-HXHYHFERSA-N

1 reference

(Q104667581)

(8S)-8-phenyl-1-[(Z)-3-phenylprop-2-enoyl]-1,5,9,13-tetrazacycloheptadecan-6-one

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