5,6-Dehydrolupanine (Q27105538)

5,6-Didehydrospartein-2-one (English)

5 October 2016

chemical formula

C₁₅H₂₂N₂O

0 references

canonical SMILES

C1CCN2CC3(CC(CN4C3=CCCC4=O)(C2(C1)[H])[H])[H]

1 reference

5,6-Dehydrolupanine (English)

5 October 2016

isomeric SMILES

C1CCN2CC3(CC(CN4C3=CCCC4=O)([C@@]2(C1)[H])[H])[H]

1 reference

5,6-Dehydrolupanine (English)

InChI=1S/C15H22N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h5,11-13H,1-4,6-10H2/t11?,12?,13-/m0/s1

5 October 2016

Identifiers

InChI

1 reference

5,6-Dehydrolupanine (English)

GSQQGCZVTAUICD-BPCQOVAHSA-N

5 October 2016

InChIKey

2 references

5,6-Dehydrolupanine (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

5,6-Dehydrolupanine (English)

5 October 2016

1 reference

matched by identifier from

5,6-Didehydrospartein-2-one (English)

5 October 2016

2 references

26 December 2021

InChIKey

GSQQGCZVTAUICD-BPCQOVAHSA-N

ChEBI ID

1996

mapping relation type

2 references

5,6-Dehydrolupanine (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C15H22N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h5,11-13H,1-4,6-10H2/t11?,12?,13-/m0/s1

1 reference

NMRShiftDB structure ID

30085411

1 reference

matched by identifier from

InChIKey

GSQQGCZVTAUICD-BPCQOVAHSA-N

DSSTox substance ID

DTXSID80953984

0 references

DSSTOX compound identifier

0 references

1 reference

5,6-Dehydrolupanine (English)

5 October 2016

1 reference

5,6-Dehydrolupanine (English)