(2R)-2-[(5R,10S,13R,14R,16S,17R)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-oxoheptanoic acid (CHEBI:200039)

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CHEBI:200039 - (2R)-2-[(5R,10S,13R,14R,16S,17R)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-oxoheptanoic acid

Default Structure

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ChEBI ID	CHEBI:200039
ChEBI Name	(2R)-2-[(5R,10S,13R,14R,16S,17R)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-oxoheptanoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H44O5
Net Charge	0
Average Mass	484.677
Monoisotopic Mass	484.31887
SMILES	CC(C)C(=O)CC[C@@H](C(=O)O)[C@H]1[C@@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
InChI	InChI=1S/C30H44O5/c1-17(2)21(31)10-8-18(26(34)35)25-22(32)16-30(7)20-9-11-23-27(3,4)24(33)13-14-28(23,5)19(20)12-15-29(25,30)6/h9,12,17-18,22-23,25,32H,8,10-11,13-16H2,1-7H3,(H,34,35)/t18-,22+,23+,25+,28-,29-,30+/m1/s1
InChIKey	URDXCYNVGQNYOD-ZLKNQHQWSA-N

Species of Metabolite	Component	Source	Comments
Daedalea dickinsii (ncbitaxon:157706)	-	DOI (10.1016/s0031-9422(97)00382-8)

ChEBI Ontology

Outgoing Relation(s)
	(2R)-2-[(5R,10S,13R,14R,16S,17R)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-oxoheptanoic acid (CHEBI:200039) is a triterpenoid (CHEBI:36615)

IUPAC Name
(2R)-2-[(5R,10S,13R,14R,16S,17R)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-oxoheptanoic acid

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