Astraeusin A (CHEBI:209057)

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CHEBI:209057 - Astraeusin A

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ChEBI ID	CHEBI:209057
ChEBI Name	Astraeusin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H44O2
Net Charge	0
Average Mass	436.680
Monoisotopic Mass	436.33413
SMILES	C/C(C=O)=C\C=C\[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3
InChI	InChI=1S/C30H44O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h8-10,19,21-22,25H,11-18H2,1-7H3/b10-8+,20-9+/t21-,22-,25+,28-,29-,30+/m1/s1
InChIKey	DXDOEZOHVKXIBO-CCFQRRSOSA-N

Species of Metabolite	Component	Source	Comments
Astraeus odoratus (ncbitaxon:265491)	-	DOI (10.1016/j.tet.2016.04.057)

ChEBI Ontology

Outgoing Relation(s)
	Astraeusin A (CHEBI:209057) is a triterpenoid (CHEBI:36615)

IUPAC Name
(2E,4E,6R)-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hepta-2,4-dienal

Manual Xrefs	Databases
78437380	ChemSpider