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CHEBI:35538 - 5α-spirostan

ChEBI IDCHEBI:35538
ChEBI Name5α-spirostan
Stars
ASCII Name5alpha-spirostan
Last Modified12 July 2013
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC27H44O2
Net Charge0
Average Mass400.647
Monoisotopic Mass400.33413
SMILES[H][C@]12CCCC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(C[C@]4([H])O[C@]5(CCC(C)CO5)[C@@H](C)[C@]34[H])[C@]1([H])CC2
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-JCKOLVSCSA-N
ChEBI Ontology
Outgoing Relation(s)
5α-spirostan (CHEBI:35538) is a spirostan (CHEBI:26745)
Incoming Relation(s)
(25R)-5α-spirostan (CHEBI:35539) is a 5α-spirostan (CHEBI:35538)
(25S)-5α-spirostan (CHEBI:74686) is a 5α-spirostan (CHEBI:35538)
IUPAC Name 
5α-spirostan