(Q72461655)

English

Crassicauline A

chemical compound

Crassicaulin A
3-Deoxyyunaconitine
Crassicauline I

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instance of

type of chemical entity

0 references

subclass of

(1S,5S,8R,10R,13S)-8-(acetyloxy)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate

1 reference

1 reference

[(2R,3R,5S,6S,8R,13S,17R)-8-acetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

643.335646768 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₉NO₁₀

0 references

canonical SMILES

O=C(OC1C2C3CC1(O)C(OC)CC2(OC(=O)C)C4C(OC)C5C6(COC)CN(CC)C4C35C(OC)CC6)C7=CC=C(OC)C=C7

0 references

found in taxon

Aconitum episcopale

6 references

stated in

Alkaloids from roots of Aconitum crassicaule

stated in

Simultaneous detection of 22 toxic plant alkaloids (aconitum alkaloids, solanaceous tropane alkaloids, sophora alkaloids, strychnos alkaloids and colchicine) in human urine and herbal samples using liquid chromatography-tandem mass spectrometry.

stated in

Norditerpenoid alkaloids from the processed tubers of Aconitum carmichaeli

stated in

Aconitum Alkaloid Poisoning Because of Contamination of Herbs by Aconite Roots

stated in

Simultaneous determination of three aconitum alkaloids in urine by LC-MS-MS

stated in

Feeding deterrents from Aconitum episcopale roots against the red flour beetle, Tribolium castaneum.

Aconitum carmichaelii

1 reference

stated in

Norditerpenoid alkaloids from the processed tubers of Aconitum carmichaeli

Identifiers

InChI

InChI=1S/C35H49NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-12,22-30,39H,8,13-18H2,1-7H3

0 references

InChIKey

GAZDXIGXYWVWQX-UHFFFAOYSA-N

0 references

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

GAZDXIGXYWVWQX-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

GAZDXIGXYWVWQX-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID101427573

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Probes And Drugs ID

PD087638

0 references

(Q72461655)

Crassicauline A

Statements

Identifiers

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