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CHEBI:175574 - Neoporrigenin B

Default Structure
ChEBI IDCHEBI:175574
ChEBI NameNeoporrigenin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O5
Net Charge0
Average Mass446.628
Monoisotopic Mass446.30322
SMILES[H][C@@]12C[C@@H](O)[C@@]3([H])C[C@@H](O)C(=O)C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@]2([H])O[C@]3(CC[C@H](C)CO3)[C@@H](C)[C@]12[H]
InChIInChI=1S/C27H42O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-21,23-24,28-29H,5-13H2,1-4H3/t14-,15-,16+,17-,18-,19+,20+,21+,23-,24-,25-,26+,27+/m0/s1
InChIKeyBTSHHJQHTVNSLW-LSLZVYMXSA-N
ChEBI Ontology
Outgoing Relation(s)
Neoporrigenin B (CHEBI:175574) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16R,18S,19R)-16,19-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15-one
Manual XrefsDatabases
103885194ChemSpider
Registry NumbersSources
CAS:196607-74-6ChemIDplus