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CHEBI:35535 - (25R)-5β-spirostan

ChEBI IDCHEBI:35535
ChEBI Name(25R)-5β-spirostan
Stars
ASCII Name(25R)-5beta-spirostan
Last Modified12 July 2013
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-/m1/s1
InChIKeyINLFWQCRAJUDCR-TYGTVKRDSA-N
ChEBI Ontology
Outgoing Relation(s)
(25R)-5β-spirostan (CHEBI:35535) is a 5β-spirostan (CHEBI:20675)
Incoming Relation(s)
(25R)-5β-spirostan-3β-ol (CHEBI:28933) has parent hydride (25R)-5β-spirostan (CHEBI:35535)
IUPAC Name 
(25R)-5β-spirostan
Registry NumbersSources
Beilstein:90419Beilstein