ethyl ganoderenate D (CHEBI:214324)

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CHEBI:214324 - ethyl ganoderenate D

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ChEBI ID	CHEBI:214324
ChEBI Name	ethyl ganoderenate D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H44O7
Net Charge	0
Average Mass	540.697
Monoisotopic Mass	540.30870
SMILES	CCOC(=O)C(C)CC(=O)/C=C(\C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
InChI	InChI=1S/C32H44O7/c1-9-39-28(38)18(3)13-19(33)12-17(2)20-14-25(37)32(8)27-21(34)15-23-29(4,5)24(36)10-11-30(23,6)26(27)22(35)16-31(20,32)7/h12,18,20-21,23,34H,9-11,13-16H2,1-8H3/b17-12+/t18?,20-,21+,23+,30+,31-,32+/m1/s1
InChIKey	LIXJQWXQCCCUFA-GGTIBQPSSA-N

Species of Metabolite	Component	Source	Comments
Ganoderma lingzhi (ncbitaxon:1233435)	-	DOI (10.1016/j.phytol.2016.07.024)

ChEBI Ontology

Outgoing Relation(s)
	ethyl ganoderenate D (CHEBI:214324) is a triterpenoid (CHEBI:36615)

IUPAC Name
ethyl (E)-6-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoate

Manual Xrefs	Databases
78442117	ChemSpider