(Q105236872)

English

(1S,2S,6R,7R)-6-ethyl-1',6'-dimethoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2'-one

group of stereoisomers with the chemical formula C₂₀H₂₆N₂O₄

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Statements

instance of

group of stereoisomers

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subclass of

gelsedine-type alkaloid

1 reference

inferred from

gelsedine-type alkaloid

mass

358.189257312 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆N₂O₄

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canonical SMILES

O=C1N(OC)C2=CC(OC)=CC=C2C13CC4NC(CC)C5CC3OCC45

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isomeric SMILES

CC[C@H]1NC2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@@H]3C[C@@H]1C2CO3

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found in taxon

Gelsemium sempervirens

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stated in

153. The alkaloids of Gelsemium sempervirens. Part I

Mostuea brunonis

1 reference

stated in

Targeted Isolation of Hemitheion from Mostuea brunonis, a Proposed Biosynthetic Intermediate of Theionbrunonines

Identifiers

InChI

InChI=1S/C20H26N2O4/c1-4-15-12-8-18-20(9-16(21-15)13(12)10-26-18)14-6-5-11(24-2)7-17(14)22(25-3)19(20)23/h5-7,12-13,15-16,18,21H,4,8-10H2,1-3H3/t12-,13?,15-,16?,18+,20+/m1/s1

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InChIKey

RIHQHYIWKHVLRH-ZDWRFUSWSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

RIHQHYIWKHVLRH-ZDWRFUSWSA-N

1 reference

(Q105236872)

(1S,2S,6R,7R)-6-ethyl-1',6'-dimethoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2'-one

Statements

Identifiers

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