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CHEBI:210731 - Astraeusin O

Default Structure
ChEBI IDCHEBI:210731
ChEBI NameAstraeusin O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O4
Net Charge0
Average Mass472.710
Monoisotopic Mass472.35526
SMILESCC(=CC[C@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3)C(=O)O
InChIInChI=1S/C30H48O4/c1-18(26(33)34)8-10-23(31)19(2)20-12-16-30(7)22-9-11-24-27(3,4)25(32)14-15-28(24,5)21(22)13-17-29(20,30)6/h8,19-20,23-25,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,23-,24-,25+,28+,29+,30-/m0/s1
InChIKeyZOAZKOJQEVTDKV-ASSAYMTPSA-N
Species of MetaboliteComponentSourceComments
Astraeus asiaticus (ncbitaxon:554049) - DOI (10.1016/j.tet.2017.01.070)
ChEBI Ontology
Outgoing Relation(s)
Astraeusin O (CHEBI:210731) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(5S,6S)-5-hydroxy-6-[(3R,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
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