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CHEBI:135634 - pentagestrone

ChEBI IDCHEBI:135634
ChEBI Namepentagestrone
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC26H38O3
Net Charge0
Average Mass398.587
Monoisotopic Mass398.28210
SMILES[H][C@@]12CC=C3C=C(OC4CCCC4)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(C)=O
InChIInChI=1S/C26H38O3/c1-17(27)26(28)15-12-23-21-9-8-18-16-20(29-19-6-4-5-7-19)10-13-24(18,2)22(21)11-14-25(23,26)3/h8,16,19,21-23,28H,4-7,9-15H2,1-3H3/t21-,22+,23+,24+,25+,26+/m1/s1
InChIKeyRBFQPFFCDLXWQK-UXUCURBISA-N
ChEBI Ontology
Outgoing Relation(s)
pentagestrone (CHEBI:135634) has parent hydride pregnane (CHEBI:8386)
pentagestrone (CHEBI:135634) is a steroid (CHEBI:35341)
Manual XrefsDatabases
3423DrugCentral
Registry NumbersSources
CAS:7001-56-1DrugCentral