(Q105342294)

English

[8-Acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

group of stereoisomers with the chemical formula C₃₃H₄₅NO₁₁

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Statements

instance of

group of stereoisomers

0 references

1 reference

631.29926126 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₅NO₁₁

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canonical SMILES

O=C(OC1C2C3CC1(O)C(OC)C(O)C2(OC(=O)C)C4C(OC)C5C6(COC)CN(C)C4C35C(OC)CC6O)C=7C=CC=CC7

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found in taxon

Aconitum kusnezoffii

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stated in

An expeditious HPLC method to distinguish Aconitum kusnezoffii from related species

Aconitum maximum

1 reference

stated in

Über Hypaconitin, ein neues Aconitum-Alkaloid. (V. Mitteilung über Aconitum-Alkaloide)

Aconitum jaluense var. glabrescens

1 reference

stated in

Über Mesaconitin, ein zweites neues Aconitum-Alkaloid. (VI. Mitteilung über Aconitum-Alkaloide)

Identifiers

InChI

InChI=1S/C33H45NO11/c1-16(35)45-33-21-18(13-31(39,28(43-6)26(33)37)27(21)44-29(38)17-10-8-7-9-11-17)32-20(41-4)12-19(36)30(15-40-3)14-34(2)25(32)22(33)23(42-5)24(30)32/h7-11,18-28,36-37,39H,12-15H2,1-6H3

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InChIKey

XUHJBXVYNBQQBD-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

XUHJBXVYNBQQBD-UHFFFAOYSA-N

1 reference

MassBank accession ID

MSBNK-RIKEN-PR310651

1 reference

InChIKey

XUHJBXVYNBQQBD-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

Human Metabolome Database ID

HMDB0254473

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XUHJBXVYNBQQBD-UHFFFAOYSA-N

Probes And Drugs ID

PD086903

0 references

(Q105342294)

[8-Acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

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