Lindheimerine (Q27107217)

(1S,2S,7R,8R,11R,12R)-12-Methyl-6-methylene-14-azapentacyclo[10.3.3.1~5,8~.0~1,11~.0~2,8~]nonadec-14-en-7-yl acetate (English)

5 October 2016

chemical formula

C₂₂H₃₁NO₂

0 references

canonical SMILES

C=C1C2(CCC3(C(CCC4(C5(C)CCCC43C=NC5)[H])(C2)C1(OC(C)=O)[H])[H])[H]

1 reference

Lindheimerine (English)

5 October 2016

isomeric SMILES

C=C1C2(CC[C@@]3([C@@](CC[C@@]4([C@@]5(C)CCC[C@]43C=NC5)[H])(C2)[C@@]1(OC(C)=O)[H])[H])[H]

1 reference

Lindheimerine (English)

InChI=1S/C22H31NO2/c1-14-16-5-6-18-21(11-16,19(14)25-15(2)24)10-7-17-20(3)8-4-9-22(17,18)13-23-12-20/h13,16-19H,1,4-12H2,2-3H3/t16?,17-,18-,19-,20+,21-,22+/m1/s1

5 October 2016

Identifiers

InChI

1 reference

Lindheimerine (English)

XLRFZCAOXVMMEG-IREFKKHBSA-N

5 October 2016

InChIKey

2 references

Lindheimerine (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Lindheimerine (English)

5 October 2016

1 reference

matched by identifier from

(1S,2S,7R,8R,11R,12R)-12-Methyl-6-methylene-14-azapentacyclo[10.3.3.1~5,8~.0~1,11~.0~2,8~]nonadec-14-en-7-yl acetate (English)

5 October 2016

2 references

26 December 2021

InChIKey

XLRFZCAOXVMMEG-IREFKKHBSA-N

ChEBI ID

6475

mapping relation type

2 references

Lindheimerine (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C22H31NO2/c1-14-16-5-6-18-21(11-16,19(14)25-15(2)24)10-7-17-20(3)8-4-9-22(17,18)13-23-12-20/h13,16-19H,1,4-12H2,2-3H3/t16?,17-,18-,19-,20+,21-,22+/m1/s1

1 reference

0 references

DSSTOX compound identifier

0 references

0 references

1 reference

Lindheimerine (English)

5 October 2016

1 reference

Lindheimerine (English)