(Q105147204)

English

methyl (1S,9S,12S,16S,18S,21R)-12-oxido-2-aza-12-azoniahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate

chemical compound

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instance of

type of chemical entity

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1 reference

methyl (1S,9S,16S,18S,21R)-12-oxido-2-aza-12-azoniahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

354.194342692 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₆N₂O₃

0 references

canonical SMILES

O=C(OC)C1CC23CCC[N+]4([O-])CCC5(C=6C=CC=CC6NC15CC2)C34

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isomeric SMILES

COC(=O)[C@H]1C[C@]23CCC[N@+]4([O-])CC[C@]5(c6ccccc6N[C@@]15CC2)[C@@H]34

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found in taxon

Kopsia hainanensis

1 reference

stated in

Indole Alkaloids fromKopsia hainanensis

Pleiocarpa pycnantha

1 reference

stated in

Weitere Alkaloide aus den Bl�ttern vonPleiocarpa tubicina; Umwandlung von (?)-Quebrachamin in (+)-1,2-Dehydroaspido-spermidin 6. Mitteilung �berPleiocarpa-Alkaloide [1]

Identifiers

InChI

InChI=1S/C21H26N2O3/c1-26-17(24)15-13-19-7-4-11-23(25)12-10-20(18(19)23)14-5-2-3-6-16(14)22-21(15,20)9-8-19/h2-3,5-6,15,18,22H,4,7-13H2,1H3/t15-,18-,19+,20+,21+,23+/m1/s1

0 references

InChIKey

KWXHCCIXBUPHTG-XURNYUAKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KWXHCCIXBUPHTG-XURNYUAKSA-N

(Q105147204)

methyl (1S,9S,12S,16S,18S,21R)-12-oxido-2-aza-12-azoniahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate

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Identifiers

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