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CHEBI:214810 - Poriaprogesterol A

ChEBI IDCHEBI:214810
ChEBI NamePoriaprogesterol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O6
Net Charge0
Average Mass462.627
Monoisotopic Mass462.29814
SMILESCC(O)[C@H]1C[C@H](O)[C@H]2C3=CC[C@H]4C[C@@H](OC(=O)CC5C[C@@H](O)CO5)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C27H42O6/c1-15(28)22-13-23(30)25-20-5-4-16-10-18(33-24(31)12-19-11-17(29)14-32-19)6-8-26(16,2)21(20)7-9-27(22,25)3/h5,15-19,21-23,25,28-30H,4,6-14H2,1-3H3/t15?,16-,17+,18-,19?,21-,22+,23-,25+,26-,27+/m0/s1
InChIKeyFOVNMNSAUZCEOZ-HASANDNHSA-N
Species of MetaboliteComponentSourceComments
Wolfiporia cocos (ncbitaxon:81056) - DOI (10.1016/j.phytol.2020.01.005)
ChEBI Ontology
Outgoing Relation(s)
Poriaprogesterol A (CHEBI:214810) is a steroid ester (CHEBI:47880)
IUPAC Name 
[(3S,5S,9R,10S,13R,14R,15S,17S)-15-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[(4R)-4-hydroxyoxolan-2-yl]acetate