(Q25099886)

Belladonnine (English)

5 October 2016

chemical formula

C₃₄H₄₂N₂O₄

1 reference

Belladonnine (English)

5 October 2016

canonical SMILES

CN1C2CCC1CC(C2)OC(=O)C3CCC(C4=CC=CC=C34)(C5=CC=CC=C5)C(=O)OC6CC7CCC(C6)N7C

1 reference

Belladonnine (English)

5 October 2016

isomeric SMILES

CN1C2CCC1CC(C2)OC(=O)[C@H]3CC[C@@](C4=CC=CC=C34)(C5=CC=CC=C5)C(=O)OC6CC7CCC(C6)N7C

1 reference

Belladonnine (English)

InChI=1S/C34H42N2O4/c1-35-23-12-13-24(35)19-27(18-23)39-32(37)30-16-17-34(22-8-4-3-5-9-22,31-11-7-6-10-29(30)31)33(38)40-28-20-25-14-15-26(21-28)36(25)2/h3-11,23-28,30H,12-21H2,1-2H3/t23?,24?,25?,26?,27?,28?,30-,34-/m0/s1

5 October 2016

Identifiers

InChI

1 reference

Belladonnine (English)

GERIGMSHTUAXSI-KZYONXTKSA-N

5 October 2016

InChIKey

2 references

Belladonnine (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Belladonnine (English)

5 October 2016

1 reference

Bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) (1S,4S)-1-phenyl-1,2,3,4-tetrahydro-1,4-naphthalenedicarboxylate (English)

5 October 2016

1 reference

Belladonnine (English)

5 October 2016

ChEBI ID

3006

mapping relation type

1 reference

DSSTOX compound identifier

Belladonnine (English)

5 October 2016

1 reference

0 references

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1 reference

Belladonnine (English)

5 October 2016

0 references

1 reference

Belladonnine (English)