(Q27106027)

(13alpha)-2-Oxospartein-13-yl 1H-pyrrole-2-carboxylate (English)

retrieved

5 October 2016

chemical formula

C₂₀H₂₇N₃O₃

0 references

canonical SMILES

C1CC2(C3(CC(CN2C(C1)=O)(C4(CC(CCN4C3)(OC(C5=CC=CN5)=O)[H])[H])[H])[H])[H]

1 reference

Calpurnine (English)

5 October 2016

C1C[C@@]2(C3(CC(CN2C(C1)=O)([C@@]4(C[C@](CCN4C3)(OC(C5=CC=CN5)=O)[H])[H])[H])[H])[H]

1 reference

InChI=1S/C20H27N3O3/c24-19-5-1-4-17-13-9-14(12-23(17)19)18-10-15(6-8-22(18)11-13)26-20(25)16-3-2-7-21-16/h2-3,7,13-15,17-18,21H,1,4-6,8-12H2/t13?,14?,15-,17+,18-/m0/s1

Calpurnine (English)

retrieved

5 October 2016

Identifiers

InChI

1 reference

YFRYJFMFQOBOSY-CMQLYVPTSA-N

Calpurnine (English)

5 October 2016

2 references

Calpurnine (English)

5 October 2016

ChEBI release 2020-09-01

1 reference

Calpurnine (English)

5 October 2016

1 reference

(13alpha)-2-Oxospartein-13-yl 1H-pyrrole-2-carboxylate (English)

5 October 2016

1 reference

26 December 2021

mapping relation type

1 reference

DSSTOX compound identifier

Calpurnine (English)

5 October 2016

1 reference

0 references

0 references

1 reference

Calpurnine (English)

5 October 2016

1 reference