(Q105254371)

English

(1'R,3S,4'S,7'Z,8'R,9'S)-7'-ethylidene-1-methoxy-5'-methyl-11'-oxa-5'-azaspiro[indole-3,2'-tricyclo[6.3.1.0⁴,⁹]dodecan]-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(7'Z)-7'-ethylidene-1-methoxy-5'-methyl-11'-oxa-5'-azaspiro[indole-3,2'-tricyclo[6.3.1.0⁴,⁹]dodecan]-2-one

1 reference

based on heuristic

inferred from SMILES

7-Ethylidene-1'-methoxy-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one

1 reference

based on heuristic

inferred from SMILES

mass

354.194342692 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2S,4S,7E,8S,9R)-7-ethylidene-1'-methoxy-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one

1 reference

1 reference

1 reference

C₂₁H₂₆N₂O₃

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canonical SMILES

O=C1N(OC)C=2C=CC=CC2C13CC4N(C)CC(=CC)C5CC3OCC54

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isomeric SMILES

C/C=C1\CN(C)[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@@H]1[C@@H]2CO3

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found in taxon

Gelsemium rankinii

1 reference

stated in

New oxindole and indole alkaloids from Gelsemium rankinii

Gelsemium elegans

4 references

stated in

New humantenine-type alkaloids from Gelsemium elegans

stated in

Indole alkaloids isolated from Gelsemium elegans (Thailand): 19-(Z)-akuammidine, 16-epi-voacarpine, 19-hydroxydihydrogelsevirine, and the revised structure of koumidine.

stated in

Studies on the indole alkaloids of gelsem1um elegans (thailand): structure elucidation and proposal of biogenetic route

stated in

A new class of indole alkaloid ‘elegansamine’ constructed from a monoterpenoid indole alkaloid and an iridoid

Identifiers

InChI

InChI=1S/C21H26N2O3/c1-4-13-11-22(2)18-10-21(19-9-14(13)15(18)12-26-19)16-7-5-6-8-17(16)23(25-3)20(21)24/h4-8,14-15,18-19H,9-12H2,1-3H3/b13-4+/t14-,15-,18-,19+,21-/m0/s1

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InChIKey

SJKRPUOXUNOPOP-YDAOCWKESA-N

0 references

CAS Registry Number

82375-29-9

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SJKRPUOXUNOPOP-YDAOCWKESA-N

1 reference

1 reference

matched by identifier from

InChIKey

SJKRPUOXUNOPOP-YDAOCWKESA-N

(Q105254371)

(1'R,3S,4'S,7'Z,8'R,9'S)-7'-ethylidene-1-methoxy-5'-methyl-11'-oxa-5'-azaspiro[indole-3,2'-tricyclo[6.3.1.0⁴,⁹]dodecan]-2-one

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