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CHEBI:180936 - solanid-5-en-3-ol

ChEBI IDCHEBI:180936
ChEBI Namesolanid-5-en-3-ol
Stars
DefinitionA 3-hydroxy steroid that is solanid-5-ene substituted by a hydroxy group at position 3.
Last Modified30 November 2021
Submittermwilliams
DownloadsMolfile
FormulaC27H43NO
Net Charge0
Average Mass397.647
Monoisotopic Mass397.33446
SMILES[H][C@@]12CC=C3CC(O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@]2([H])N3C[C@@H](C)CC[C@]3([H])[C@@H](C)[C@]12[H]
InChIInChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19?,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1
InChIKeyJVKYZPBMZPJNAJ-DZMCFCHHSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
solanid-5-en-3-ol (CHEBI:180936) is a 3-hydroxy steroid (CHEBI:36834)
solanid-5-en-3-ol (CHEBI:180936) is a alkaloid (CHEBI:22315)
solanid-5-en-3-ol (CHEBI:180936) is a organic heterohexacyclic compound (CHEBI:51914)
Incoming Relation(s)
solanidine (CHEBI:28374) is a solanid-5-en-3-ol (CHEBI:180936)
IUPAC Name 
solanid-5-en-3-ol
Synonym  Source
(4aR,4bS,6aS,6bR,7S,7aR,10S,12aS,13aS,13bS)-4a,6a,7,10-tetramethyl-2,3,4,4a,4b,5,6,6a,6b,7,7a,8,9,10,11,12a,13,13a,13b,14-icosahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]indolizin-2-olIUPAC