(Q105376105)

English

[(1S,2R,3R,4R,5R,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-8-hydroxy-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

aconitane alkaloid

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mass

463.293388032 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

14-Acethyltalatisamine

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,2R,3R,4R,5R,6S,8S,9S,10R,13S,16R,17R)-11-ethyl-8-hydroxy-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2S,3S,4S,5S,6R,8R,9R,10S,13R,16R,17S)-11-ethyl-8-hydroxy-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₄₁NO₆

0 references

canonical SMILES

O=C(OC1C2CC3C1C(O)(CC2OC)C4CC5C6(COC)CN(CC)C4C35C(OC)CC6)C

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isomeric SMILES

CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@H]23)[C@@H]14)[C@H]5[C@@H]6OC(C)=O

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found in taxon

Aconitum columbianum

1 reference

stated in

Alkaloids of Aconitumcolumbianum Nutt•

Identifiers

InChI

InChI=1S/C26H41NO6/c1-6-27-12-24(13-30-3)8-7-20(32-5)26-16-9-15-18(31-4)11-25(29,17(23(26)27)10-19(24)26)21(16)22(15)33-14(2)28/h15-23,29H,6-13H2,1-5H3/t15-,16-,17+,18+,19-,20+,21-,22-,23-,24+,25+,26-/m1/s1

0 references

InChIKey

ZHYCSYOPFIUANO-CGZBEYFXSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105376105)

[(1S,2R,3R,4R,5R,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-8-hydroxy-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate

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