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CHEBI:200273 - Berkeleyacetal C

ChEBI IDCHEBI:200273
ChEBI NameBerkeleyacetal C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O8
Net Charge0
Average Mass442.464
Monoisotopic Mass442.16277
SMILESC[C@@H]1O[C@@H]2OC(=O)[C@]3(C)C[C@@H]4[C@](C)(C(=O)C=C5C(=CC(=O)OC5(C)C)[C@@]45CO5)[C@H](C1=O)[C@H]23
InChIInChI=1S/C24H26O8/c1-10-18(27)16-17-19(30-10)31-20(28)22(17,4)8-13-23(16,5)14(25)6-11-12(24(13)9-29-24)7-15(26)32-21(11,2)3/h6-7,10,13,16-17,19H,8-9H2,1-5H3/t10-,13+,16-,17+,19+,22+,23+,24-/m0/s1
InChIKeyPCBBMDQLBUYDDZ-MBEBNAQTSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (17970594)
ChEBI Ontology
Outgoing Relation(s)
Berkeleyacetal C (CHEBI:200273) is a furopyran (CHEBI:74927)
IUPAC Name 
(1R,2S,11R,12R,14R,17R,19S,21S)-2,6,6,14,19-pentamethylspiro[7,16,18-trioxapentacyclo[12.6.1.02,12.05,10.017,21]henicosa-4,9-diene-11,2'-oxirane]-3,8,15,20-tetrone
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23311522ChemSpider