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CHEBI:198852 - (4beta)-4,4-O-dihydrocrinipellin A

ChEBI IDCHEBI:198852
ChEBI Name(4beta)-4,4-O-dihydrocrinipellin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESC=C1[C@H]2C[C@]34CC[C@H](C(C)C)[C@@]3(C)[C@@H](O)C(=O)[C@]4(C)[C@]23O[C@@H]3[C@H]1O
InChIInChI=1S/C20H28O4/c1-9(2)11-6-7-19-8-12-10(3)13(21)16-20(12,24-16)18(19,5)15(23)14(22)17(11,19)4/h9,11-14,16,21-22H,3,6-8H2,1-2,4-5H3/t11-,12-,13+,14+,16-,17+,18+,19-,20+/m1/s1
InChIKeyILPXHKMIZLTLAS-HZUZVOAWSA-N
Species of MetaboliteComponentSourceComments
Crinipellisspecies (ncbitaxon:1967124) - DOI (10.1002/hlca.200900470)
ChEBI Ontology
Outgoing Relation(s)
(4beta)-4,4-O-dihydrocrinipellin A (CHEBI:198852) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,3R,5S,6R,8R,9S,11R,12R,13R)-5,11-dihydroxy-9,12-dimethyl-4-methylidene-13-propan-2-yl-7-oxapentacyclo[7.6.0.01,12.03,8.06,8]pentadecan-10-one
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78440750ChemSpider