(Q27274501)

inferred from SMILES

mass

246.173±0 dalton

1 reference

UNII-B8H2Y870WB (English)

(1R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one

14 October 2016

stereoisomer of

2 references

inferred from InChIKey

(1R,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one

inferred from InChI

1 reference

1 reference

5,6-Didehydrospartein-2-one

1 reference

inferred from InChI

chemical formula

C₁₅H₂₂N₂O

1 reference

UNII-B8H2Y870WB (English)

14 October 2016

canonical SMILES

C1CCN2CC3CC(C2C1)CN4C3=CCCC4=O

1 reference

UNII-B8H2Y870WB (English)

14 October 2016

isomeric SMILES

C1CCN2C[C@@H]3C[C@H]([C@H]2C1)CN4C3=CCCC4=O

1 reference

UNII-B8H2Y870WB (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

14 October 2016

Identifiers

InChI

1 reference

UNII-B8H2Y870WB (English)

GSQQGCZVTAUICD-RWMBFGLXSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-B8H2Y870WB (English)

14 October 2016

1 reference

UNII

B8H2Y870WB

5,6-didehydro-α-isolupanine (English)

14 October 2016

1 reference

11,12-Didehydrospartein-15-one (English)

14 October 2016

2 references

UNII-B8H2Y870WB (English)

matched by identifier from

14 October 2016

InChIKey

GSQQGCZVTAUICD-RWMBFGLXSA-N

1 reference

2 references

Global Substance Registration System

UNII

B8H2Y870WB

5,6-didehydro-α-isolupanine (English)