CHEBI:35537 - (25S)-5β-spirostan

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ChEBI Name (25S)-5β-spirostan
ChEBI ID CHEBI:35537
ChEBI ASCII Name (25S)-5beta-spirostan
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H44O2
Net Charge 0
Average Mass 400.63706
Monoisotopic Mass 400.33413
InChI InChI=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
InChIKey INLFWQCRAJUDCR-LTJXREHZSA-N
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
ChEBI Ontology
Outgoing (25S)-5β-spirostan (CHEBI:35537) is a 5β-spirostan (CHEBI:20675)
Incoming convallasaponin A (CHEBI:65657) has parent hydride (25S)-5β-spirostan (CHEBI:35537)
IUPAC Name
(25S)-5β-spirostan
Registry Number Type Source
90420 Beilstein Registry Number Beilstein
Last Modified
13 December 2012