CHEBI:188607 - Estriol tripropionate

ChEBI IDCHEBI:188607
ChEBI NameEstriol tripropionate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O6
Net Charge0
Average Mass456.579
Monoisotopic Mass456.25119
SMILES[H][C@@]12CCc3cc(OC(=O)CC)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](OC(=O)CC)[C@H](OC(=O)CC)C[C@@]21[H]
InChIInChI=1S/C27H36O6/c1-5-23(28)31-17-9-11-18-16(14-17)8-10-20-19(18)12-13-27(4)21(20)15-22(32-24(29)6-2)26(27)33-25(30)7-3/h9,11,14,19-22,26H,5-8,10,12-13,15H2,1-4H3/t19-,20-,21+,22-,26+,27+/m1/s1
InChIKeyONMZMZJEZHMWQL-REUUDLSRSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
Estriol tripropionate (CHEBI:188607) is a steroid ester (CHEBI:47880)
IUPAC Name 
[(8R,9S,13S,14S,16R,17R)-13-methyl-3,17-di(propanoyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] propanoate
Manual XrefsDatabases
DB14641DrugBank
D01986KEGG DRUG
92362ChemSpider
Registry NumbersSources
CAS:2236-31-9ChemIDplus