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CHEBI:219482 - Astraeusin L

Default Structure
ChEBI IDCHEBI:219482
ChEBI NameAstraeusin L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O3
Net Charge0
Average Mass458.727
Monoisotopic Mass458.37600
SMILESC[C@H]([C@@H]1CC[C@@H](C)C(O)O1)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
InChIInChI=1S/C30H50O3/c1-18-8-10-23(33-26(18)32)19(2)20-12-16-30(7)22-9-11-24-27(3,4)25(31)14-15-28(24,5)21(22)13-17-29(20,30)6/h18-20,23-26,31-32H,8-17H2,1-7H3/t18-,19+,20-,23+,24+,25+,26?,28-,29-,30+/m1/s1
InChIKeyDRTROQLYCJSMQX-NPQYCKAFSA-N
Species of MetaboliteComponentSourceComments
Astraeus odoratus (ncbitaxon:265491) - DOI (10.1016/j.tet.2016.04.057)
ChEBI Ontology
Outgoing Relation(s)
Astraeusin L (CHEBI:219482) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3R,6S)-6-[(1S)-1-[(3S,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]ethyl]-3-methyloxan-2-ol
Manual XrefsDatabases
78438185ChemSpider