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CHEBI:194212 - 13-epi-neoverrucosan-5β-ol

ChEBI IDCHEBI:194212
ChEBI Name13-epi-neoverrucosan-5β-ol
Stars
ASCII Name13-epi-neoverrucosan-5beta-ol
Last Modified10 January 2023
SubmitterAdnan
DownloadsMolfile
FormulaC20H34O
Net Charge0
Average Mass290.491
Monoisotopic Mass290.26097
SMILES[H][C@@]12C[C@]1(C)[C@H](O)C[C@]1(C)CC[C@@]3(C)CC[C@H](C(C)C)[C@]3([H])[C@]12[H]
InChIInChI=1S/C20H34O/c1-12(2)13-6-7-18(3)8-9-19(4)11-15(21)20(5)10-14(20)17(19)16(13)18/h12-17,21H,6-11H2,1-5H3/t13-,14+,15-,16-,17-,18-,19+,20+/m1/s1
InChIKeyJXDKJHNZVVRXON-QOFRVKGVSA-N
Species of MetaboliteComponentSourceComments
Lepicolea ochroleuca (ncbitaxon:255962) whole plant (BTO:0001461) PubMed (10820790)
Pleurozia subinflata (ncbitaxon:255982) - PubMed (32062804)
Fossombronia alaskana (ncbitaxon:464312) - DOI (10.1016/S0031-9422(96)00781-9)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
13-epi-neoverrucosan-5β-ol (CHEBI:194212) has role plant metabolite (CHEBI:76924)
13-epi-neoverrucosan-5β-ol (CHEBI:194212) is a carbotetracyclic compound (CHEBI:177332)
13-epi-neoverrucosan-5β-ol (CHEBI:194212) is a diterpenoid (CHEBI:23849)
13-epi-neoverrucosan-5β-ol (CHEBI:194212) is a organic hydroxy compound (CHEBI:33822)
IUPAC Name 
(1aS,2R,3aS,5aR,8R,8aR,8bR,8cS)-1a,3a,5a-trimethyl-8-(propan-2-yl)tetradecahydrocyclopenta[a]cyclopropa[h]naphthalen-2-ol
Synonym  Source
5β-hydroxy-epi-neoverrucosaneChEBI
Citations