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CHEBI:214531 - 26-nor-11,22-dioxolanost-8-en-3beta,7beta,15alpha-triol

Default Structure
ChEBI IDCHEBI:214531
ChEBI Name26-nor-11,22-dioxolanost-8-en-3beta,7beta,15alpha-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H46O5
Net Charge0
Average Mass474.682
Monoisotopic Mass474.33452
SMILESCCCCC(=O)[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O
InChIInChI=1S/C29H46O5/c1-8-9-10-18(30)16(2)17-13-23(34)29(7)25-19(31)14-21-26(3,4)22(33)11-12-27(21,5)24(25)20(32)15-28(17,29)6/h16-17,19,21-23,31,33-34H,8-15H2,1-7H3/t16-,17+,19-,21-,22-,23-,27-,28+,29-/m0/s1
InChIKeyOTLJQGVNHYRUKY-XQJFZEMYSA-N
Species of MetaboliteComponentSourceComments
Ganoderma philippii (ncbitaxon:256320) - DOI (10.1007/s10600-020-02950-2)
ChEBI Ontology
Outgoing Relation(s)
26-nor-11,22-dioxolanost-8-en-3beta,7beta,15alpha-triol (CHEBI:214531) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3S,5R,7S,10S,13R,14R,15S,17R)-3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-17-[(2S)-3-oxoheptan-2-yl]-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one