Terminology Service for NFDI4Health

16,17-didehydropregnenolone

Go to external page http://purl.obolibrary.org/obo/CHEBI_27486


A 3beta-hydroxy steroid that is pregnenolone with a double bond between positions 16 and 17.

Term info

Label

16,17-didehydropregnenolone

Synonyms
  • 16,17-Didehydropregnenolone
  • 16,17-didehydropregnenolone
  • 3beta-hydroxypregna-5,16-dien-20-one
database cross reference
Subsets

3_STAR

IUPAC NAME
3beta-hydroxypregna-5,16-dien-20-one [ IUPAC ]

charge

0

formula

C21H30O2

has alternative id

CHEBI:19156, CHEBI:762

has obo namespace

chebi_ontology

has related synonym

Delta(16)-pregnenolone, 16-dehydropregnenolone, 5,16-pregnadien-3beta-ol-20-one, (3beta)-3-hydroxypregna-5,16-dien-20-one

id

CHEBI:27486

inchi

InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1

inchikey

YLFRRPUBVUAHSR-RRPFGEQOSA-N

mass

314.46170

monoisotopicmass

314.22458

smiles

[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=CC[C@@]21[H])C(C)=O