skip to main content

Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > 4a-dehydroxycrinamabine trifluoroacetic acid

Preferred term

4a-dehydroxycrinamabine trifluoroacetic acid  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C18H20F3NO6

has_role

inchi

  • InChI=1S/C16H19NO4.C2HF3O2/c18-11-1-2-14-16(15(11)19)3-4-17(14)7-9-5-12-13(6-10(9)16)21-8-20-12;3-2(4,5)1(6)7/h5-6,11,14-15,18-19H,1-4,7-8H2;(H,6,7)/t11-,14+,15-,16-;/m0./s1

inchikey

  • KMXPVDCNAVLQCI-SNCSXGFESA-N

mass

  • 403.34970

monoisotopicmass

  • 403.12427

smiles

  • OC(=O)C(F)(F)F.[H][C@@]12CC[C@H](O)[C@H](O)[C@]11CCN2Cc2cc3OCOc3cc12

subset

  • 2_STAR

synonym RELATED

  • (1beta,2beta)-Crinan-1,2-diol Trifluoroacetic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68303

Download this concept:

RDF/XML TURTLE JSON-LD