(Q105528925)

English

3β-hydroxylupanine

chemical compound

3beta-Hydroxylupanine
3β-OH-lupanine
(1S,2R,5S,9S,10S)-5-hydroxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-6-one

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Statements

type of chemical entity

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264.183778 dalton

monoisotopic mass

1 reference

stereoisomer of

(1R,2R,5R,9R,10S)-5-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

1 reference

based on heuristic

inferred from InChIKey

(1R,2R,5S,9R,10S)-5-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

1 reference

based on heuristic

inferred from InChI

3alpha-Hydroxylupanine

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₄N₂O₂

2 references

European Food Safety Authority

described at URL

https://www.efsa.europa.eu/sites/default/files/consultation/consultation/CONTAM_QA_in_feed_and_food_FINAL_for_PC.pdf

canonical SMILES

C1CCN2CC3CC(C2C1)CN4C3CCC(C4=O)O

1 reference

O=C1N2CC3CC(CN4CCCCC43)C2CCC1O

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isomeric SMILES

C1CCN2C[C@@H]3C[C@H]([C@@H]2C1)CN4[C@@H]3CC[C@@H](C4=O)O

1 reference

Identifiers

InChI=1S/C15H24N2O2/c18-14-5-4-13-10-7-11(9-17(13)15(14)19)12-3-1-2-6-16(12)8-10/h10-14,18H,1-9H2/t10-,11-,12-,13+,14-/m0/s1

1 reference

16 February 2021

FROKOSJUHZENQC-YHQUGGNUSA-N

1 reference

16 February 2021

CAS Registry Number

2 references

European Food Safety Authority

described at URL

https://www.efsa.europa.eu/sites/default/files/consultation/consultation/CONTAM_QA_in_feed_and_food_FINAL_for_PC.pdf

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UniChem compound ID

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CAS Registry Number

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