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CHEBI:35537 - (25S)-5β-spirostan

ChEBI IDCHEBI:35537
ChEBI Name(25S)-5β-spirostan
Stars
ASCII Name(25S)-5beta-spirostan
Last Modified13 December 2012
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC27H44O2
Net Charge0
Average Mass400.647
Monoisotopic Mass400.33413
SMILES[H][C@]1(C)CC[C@@]2(OC1)O[C@@]1([H])C[C@@]3([H])[C@]4([H])CC[C@]5([H])CCCC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@@H]2C
InChIInChI=1S/C27H44O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h17-24H,5-16H2,1-4H3/t17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
InChIKeyINLFWQCRAJUDCR-LTJXREHZSA-N
ChEBI Ontology
Outgoing Relation(s)
(25S)-5β-spirostan (CHEBI:35537) is a 5β-spirostan (CHEBI:20675)
Incoming Relation(s)
convallasaponin A (CHEBI:65657) has parent hydride (25S)-5β-spirostan (CHEBI:35537)
IUPAC Name 
(25S)-5β-spirostan
Registry NumbersSources
Beilstein:90420Beilstein