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CHEBI:26745 - spirostan

ChEBI IDCHEBI:26745
ChEBI Namespirostan
Stars
Last Modified7 August 2014
DownloadsMolfile
FormulaC27H44O2
Net Charge0
Average Mass400.647
Monoisotopic Mass400.33413
SMILES[H][C@@]12CCC3CCCC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@]2([H])O[C@]3(CCC(C)CO3)[C@@H](C)[C@]12[H]
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-LHVCHFHMSA-N
ChEBI Ontology
Outgoing Relation(s)
spirostan (CHEBI:26745) is a oxaspiro compound (CHEBI:37948)
spirostan (CHEBI:26745) is a steroid fundamental parent (CHEBI:35508)
Incoming Relation(s)
26-desglucoprotodioscin (CHEBI:74026) has parent hydride spirostan (CHEBI:26745)
dioscin (CHEBI:74023) has parent hydride spirostan (CHEBI:26745)
diosgenin (CHEBI:4629) has parent hydride spirostan (CHEBI:26745)
diosgenin 3-O-β-D-glucoside (CHEBI:74020) has parent hydride spirostan (CHEBI:26745)
nolinospiroside F (CHEBI:82654) has parent hydride spirostan (CHEBI:26745)
pennogenin (CHEBI:71824) has parent hydride spirostan (CHEBI:26745)
tigogenin 3-O-β-D-glucopyranoside (CHEBI:166995) has parent hydride spirostan (CHEBI:26745)
5α-spirostan (CHEBI:35538) is a spirostan (CHEBI:26745)
5β-spirostan (CHEBI:20675) is a spirostan (CHEBI:26745)
IUPAC Name 
spirostan