Astraeusin M (CHEBI:210749)

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CHEBI:210749 - Astraeusin M

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ChEBI ID	CHEBI:210749
ChEBI Name	Astraeusin M
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H52O4
Net Charge	0
Average Mass	500.764
Monoisotopic Mass	500.38656
SMILES	CC(=O)O[C@H]1CC[C@]2(C)C3=C(CCC2C1(C)C)[C@]1(C)C[C@H](O)C([C@@](C)(O)CCC=C(C)C)[C@@]1(C)CC3
InChI	InChI=1S/C32H52O4/c1-20(2)11-10-16-32(9,35)27-24(34)19-31(8)23-12-13-25-28(4,5)26(36-21(3)33)15-17-29(25,6)22(23)14-18-30(27,31)7/h11,24-27,34-35H,10,12-19H2,1-9H3/t24-,25?,26-,27?,29+,30+,31-,32-/m0/s1
InChIKey	ZOZVRUXJAZNBAO-GJPDKVIHSA-N

Species of Metabolite	Component	Source	Comments
Astraeus asiaticus (ncbitaxon:554049)	-	DOI (10.1016/j.tet.2017.01.070)

ChEBI Ontology

Outgoing Relation(s)
	Astraeusin M (CHEBI:210749) is a triterpenoid (CHEBI:36615)

IUPAC Name
[(3S,10S,13R,14R,16S)-16-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Manual Xrefs	Databases
78439162	ChemSpider