epivittatine Trifluoroacetic acid (Q27136809)

CHEBI:68311 (English)

7 October 2016

chemical formula

C₁₈H₁₈F₃NO₅

1 reference

CHEBI:68311 (English)

7 October 2016

canonical SMILES

C1CN2CC3=CC4=C(C=C3C15C2CC(C=C5)O)OCO4.C(=O)(C(F)(F)F)O

1 reference

CHEBI:68311 (English)

7 October 2016

isomeric SMILES

C1CN2CC3=CC4=C(C=C3[C@@]15[C@@H]2C[C@H](C=C5)O)OCO4.C(=O)(C(F)(F)F)O

1 reference

CHEBI:68311 (English)

InChI=1S/C16H17NO3.C2HF3O2/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13;3-2(4,5)1(6)7/h1-2,5,7,11,15,18H,3-4,6,8-9H2;(H,6,7)/t11-,15-,16-;/m0./s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:68311 (English)

RNFWKMVEAZEOII-SMUSPENPSA-N

7 October 2016

InChIKey

2 references

CHEBI:68311 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3alpha,13beta,19alpha)-1,2-Didehydrocrinan-3-ol trifluoroacetate (1:1) (English)

7 October 2016

2 references

CHEBI:68311 (English)

matched by identifier from

7 October 2016

InChIKey

RNFWKMVEAZEOII-SMUSPENPSA-N

ChEBI ID

68311

mapping relation type

2 references

epivittatine Trifluoroacetic acid (English)