(Q27136804)

CHEBI:68306 (English)

7 October 2016

chemical formula

C₁₉H₂₂F₃NO₇

1 reference

CHEBI:68306 (English)

7 October 2016

canonical SMILES

COC1=C2CN3CCC4(C3CCC(C4O)O)C2=CC5=C1OCO5.C(=O)(C(F)(F)F)O

1 reference

CHEBI:68306 (English)

7 October 2016

isomeric SMILES

COC1=C2CN3CC[C@@]4([C@H]3CC[C@@H]([C@@H]4O)O)C2=CC5=C1OCO5.C(=O)(C(F)(F)F)O

1 reference

CHEBI:68306 (English)

InChI=1S/C17H21NO5.C2HF3O2/c1-21-14-9-7-18-5-4-17(13(18)3-2-11(19)16(17)20)10(9)6-12-15(14)23-8-22-12;3-2(4,5)1(6)7/h6,11,13,16,19-20H,2-5,7-8H2,1H3;(H,6,7)/t11-,13+,16-,17-;/m0./s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:68306 (English)

GKYNBKUEZVMORG-JJTLMRPKSA-N

7 October 2016

InChIKey

2 references

CHEBI:68306 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1beta,2beta)-7-Methoxycrinan-1,2-diol trifluoroacetate (1:1) (English)

7 October 2016

1 reference

CHEBI:68306 (English)

7 October 2016

ChEBI ID

68306

mapping relation type

1 reference