Terminology Service for NFDI4Health
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20-hydroxyecdysone

Go to external page http://purl.obolibrary.org/obo/CHEBI_16587

An ecdysteroid that is ecdysone substituted by a hydroxy group at position 20.

Term info

Label

20-hydroxyecdysone

Synonyms
  • (22R)-2beta,3beta,14alpha,20,22,25-hexahydroxy-5beta-cholest-7-en-6-one
  • 20-Hydroxyecdysone
  • 20-hydroxyecdysone
database cross reference
Subsets

3_STAR

IUPAC NAME
(22R)-2beta,3beta,14alpha,20,22,25-hexahydroxy-5beta-cholest-7-en-6-one [ IUPAC ]

charge

0

formula

C27H44O7

has alternative id

CHEBI:49387, CHEBI:1292, CHEBI:11661, CHEBI:19795, CHEBI:57827

has obo namespace

chebi_ontology

has related synonym

Crustecdysone, beta-Ecdysterone, 20-OH ecdysone, beta-Ecdysone, Ecdysterone

id

CHEBI:16587

inchi

InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1

inchikey

NKDFYOWSKOHCCO-YPVLXUMRSA-N

mass

480.63406

monoisotopicmass

480.30870

smiles

[H][C@]12CC[C@]3(C)[C@]([H])(CC[C@@]3(O)C1=CC(=O)[C@]1([H])C[C@@H](O)[C@@H](O)C[C@]21C)[C@@](C)(O)[C@H](O)CCC(C)(C)O